SCHEMBL2785702

SCHEMBL2785702

N#Cc1ccc(-c2ccc(O)c(I)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.55
TTR P02766 1/20 0.45
ALB P02768 1/20 0.45
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP19A1 P11511 1/20 0.45
CA1 P00915 1/20 0.43
KIF11 P52732 3/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PGR P06401 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
MAP4K4 O95819 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7125883 0.95 MMP3 (0.66) MMP3TTRALBCA12CA2
SCHEMBL321522 0.84 XDH (0.56) TTRALBPGRXDHSLC22A12
SCHEMBL178073 0.84 TTR (0.58) MMP3TTRALBCA12CA2
SCHEMBL6723587 0.82 TTR (0.63) MMP3TTRALBCA12CA2
SCHEMBL19880348 0.81 APP (0.55) ESR2APP
SCHEMBL2785232 0.79 TTR (0.41) MMP3TTRALBCYP19A1ESR1
SCHEMBL21036112 0.78 MMP3 (0.47) MMP3TTRALBCA12CA2
SCHEMBL13590994 0.77 ALOX5 (0.62) MMP3ESR1ESR2APP
SCHEMBL31757686 0.77 KIF11 (0.46) MMP3TTRALBCA12CA2
SCHEMBL13368942 0.77 KIF11 (0.46) MMP3TTRALBCA12CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040054185-A1 Process for preparing amine-substituted benzofurans COWART MARLON D (US) 2004-03-18 US claimed
US-20230278956-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-09-07 US disclosed
US-11691946-B2 Preparation of Trifarotene and intermediates and polymorphs thereof TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-07-04 US disclosed
US-20230051259-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-02-16 US disclosed
US-11254597-B2 Method for the production of a material of plant origin that is rich in phenolic acids, comprising at least one metal, for carrying out organic synthesis reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-02-22 US disclosed
US-11254597-B2 Method for the production of a material of plant origin that is rich in phenolic acids, comprising at least one metal, for carrying out organic synthesis reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-02-22 US disclosed
WO-2021119351-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2021-06-17 WO disclosed
US-20200047165-A1 METHOD FOR THE PRODUCTION OF A MATERIAL OF PLANT ORIGIN THAT IS RICH IN PHENOLIC ACIDS, COMPRISING AT LEAST ONE METAL, FOR CARRYING OUT ORGANIC SYNTHESIS REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-02-13 US disclosed
US-20200047165-A1 METHOD FOR THE PRODUCTION OF A MATERIAL OF PLANT ORIGIN THAT IS RICH IN PHENOLIC ACIDS, COMPRISING AT LEAST ONE METAL, FOR CARRYING OUT ORGANIC SYNTHESIS REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-02-13 US disclosed
EP-3600661-A1 METHOD FOR THE PRODUCTION OF A MATERIAL OF PLANT ORIGIN THAT IS RICH IN PHENOLIC ACIDS, COMPRISING AT LEAST ONE METAL, FOR CARRYING OUT ORGANIC SYNTHESIS REACTIONS Centre National De La Recherche Scientifique (FR) 2020-02-05 EP disclosed
US-20040133007-A1 Process for preparing amine-substituted benzofurans ABBOTT LABORATORIES 2004-07-08 US disclosed
WO-2004024707-A2 PROCESS FOR PREPARING AMINE TYPE SUBSTITUTED BENZOFURANS ABBOTT LABORATORIES (US) 2004-03-25 WO disclosed
US-20040054185-A1 Process for preparing amine-substituted benzofurans COWART MARLON D (US) 2004-03-18 US disclosed
US-6620839-B2 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2003-09-16 US disclosed
US-20030153548-A1 Histamine-3 receptor ligands for diabetic conditions ABBOTT LABORATORIES 2003-08-14 US disclosed
US-20030134835-A1 Histamine-3 receptor ligands for diabetes conditions ABBOTT LABORATORIES 2003-07-17 US disclosed
US-20020183309-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2002-12-05 US disclosed
US-20020177589-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 US disclosed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 MMP3 2210/4885TTR 4651/4885ALB 3166/4885
US-20230051259-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF UGT1A4, TBK1, UGT1A7 MMP3 4655/4885TTR 2239/4885ALB 4657/4885
US-20230278956-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF UGT1A4, TBK1, UGT1A7 MMP3 4655/4885TTR 2239/4885ALB 4657/4885
US-20020177589-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 MMP3 3450/4885TTR 4468/4885ALB 3852/4885
US-11691946-B2 Preparation of Trifarotene and intermediates and polymorphs thereof UGT1A4, TBK1, UGT1A7 MMP3 4655/4885TTR 2239/4885ALB 4657/4885
US-20040133007-A1 Process for preparing amine-substituted benzofurans HRH4, HRH2, HRH3 MMP3 3684/4885TTR 4874/4885ALB 4169/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 MMP3 3450/4885TTR 4468/4885ALB 3852/4885
US-20200047165-A1 METHOD FOR THE PRODUCTION OF A MATERIAL OF PLANT ORIGIN THAT IS RICH IN PHENOLIC ACIDS, COMPRISING AT LEAST ONE METAL, FOR CARRYING OUT ORGANIC SYNTHESIS REACTIONS COMT, VARS1, CROCC MMP3 3050/4885TTR 1044/4885ALB 37/4885
US-20030153548-A1 Histamine-3 receptor ligands for diabetic conditions HRH4, HRH2, HRH3 MMP3 1969/4885TTR 4387/4885ALB 2598/4885
US-20020183309-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 MMP3 3450/4885TTR 4468/4885ALB 3852/4885
US-20030134835-A1 Histamine-3 receptor ligands for diabetes conditions HRH4, HRH2, HRH3 MMP3 2114/4885TTR 4225/4885ALB 2447/4885
US-20040054185-A1 Process for preparing amine-substituted benzofurans HRH4, HRH2, HRH3 MMP3 3684/4885TTR 4874/4885ALB 4169/4885
US-11254597-B2 Method for the production of a material of plant origin that is rich in phenolic acids, comprising at least one metal, for carrying out organic synthesis reactions COMT, VARS1, CROCC MMP3 3050/4885TTR 1044/4885ALB 37/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.