SCHEMBL1748528

SCHEMBL1748528

COc1c(Cl)cc(F)cc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
TPMT P51580 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HPGD P15428 4/20 0.38
ABCB11 O95342 1/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL1942020 0.81 CES2 (0.44) ALDH1A1HPGDHTTCYP3A4MAPK1
SCHEMBL8427153 0.81 KDM4E (0.51) ALDH1A1KDM4ETPMTGAASMN1; SMN2
SCHEMBL4119971 0.80 ALDH1A1 (0.49) ALDH1A1KDM4ETPMTGAASMN1; SMN2
SCHEMBL1748027 0.80 CNR1 (0.39) ALDH1A1KDM4ESMN1; SMN2HPGDHTT
SCHEMBL24720833 0.79 HSD17B10 (0.50) ALDH1A1TPMTSMN1; SMN2RAB9AHPGD
SCHEMBL4487009 0.79 GAA (0.45) ALDH1A1KDM4ETPMTGAASMN1; SMN2
SCHEMBL30930876 0.79 HSD17B10 (0.50) ALDH1A1TPMTSMN1; SMN2RAB9AHPGD
SCHEMBL3759267 0.78 ALDH1A1 (0.44) ALDH1A1KDM4ETPMTGAASMN1; SMN2
SCHEMBL10437029 0.77 CES2 (0.38) SMN1; SMN2NPC1RAB9AHPGDMAPK1
SCHEMBL14753979 0.76 ABCB11 (0.36) ALDH1A1KDM4ETPMTGAASMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020224626-A1 COMPOUND USED AS KINASE INHIBITOR AND APPLICATION THEREOF 浙江同源康医药股份有限公司 2020-11-12 WO disclosed
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO 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 (2 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B ALDH1A1 1488/4885KDM4E 1616/4885TPMT 634/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B ALDH1A1 1488/4885KDM4E 1616/4885TPMT 634/4885

“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.