SCHEMBL16708176

SCHEMBL16708176

O=C(CBr)c1cc2ccc(F)cc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.45
AGTR1 P30556 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTPN1 P18031 2/20 0.44
NPC1 O15118 3/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
FLT3 P36888 2/20 0.44
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 1/20 0.41
CXCR2 P25025 1/20 0.40

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
SCHEMBL18313582 0.87 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTKDM4EHTT
SCHEMBL16708198 0.81 CA12 (0.48) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL16708124 0.81 GSK3B (0.44) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL29810733 0.81 CA12 (0.48) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL29545842 0.80 PIM1 (0.52) ALDH1A1L3MBTL1MAPTKDM4EHTT
SCHEMBL15066742 0.80 MEN1 (0.52) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL15146871 0.80 PTPN1 (0.41) ALDH1A1L3MBTL1MAPTKDM4EHTT
SCHEMBL16708167 0.80 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTKDM4EHTT
SCHEMBL29609044 0.80 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTKDM4EHTT
SCHEMBL7703668 0.80 NPC1 (0.49) ALDH1A1L3MBTL1MAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860994-B1 TRANSCRIPTION FACTOR BRN2 INHIBITORY COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2024-08-14 EP disclosed
US-11578080-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-02-14 US disclosed
US-20220106304-A1 Transcription Factor BRN2 Inhibitory Compounds as Therapeutics and Methods for Their Use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-04-07 US disclosed
WO-2022002780-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-01-06 WO disclosed
US-20220002270-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-01-06 US disclosed
WO-2022002782-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-01-06 WO disclosed
US-20210403482-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2021-12-30 US disclosed
US-20210395267-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INT (DE) 2021-12-23 US disclosed
WO-2021074197-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-22 WO disclosed
US-20210107919-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
EP-2847200-B1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
WO-2016201168-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMCEUTICALS INC. (US) 2016-12-15 WO disclosed
US-20150133446-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION UNIVERSITE DE MONTREAL (CA) 2015-05-14 US disclosed
US-20150133446-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION UNIVERSITE DE MONTREAL (CA) 2015-05-14 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 (8 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-20150133446-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 ALDH1A1 3249/4885L3MBTL1 4186/4885MAPT 1619/4885
US-11578080-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 ALDH1A1 822/4885L3MBTL1 4185/4885MAPT 234/4885
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC ALDH1A1 1137/4885L3MBTL1 3407/4885MAPT 16/4885
US-20210107919-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 ALDH1A1 1108/4885L3MBTL1 4178/4885MAPT 287/4885
US-20210395267-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 ALDH1A1 1108/4885L3MBTL1 4178/4885MAPT 287/4885
US-20220106304-A1 Transcription Factor BRN2 Inhibitory Compounds as Therapeutics and Methods for Their Use BRDT, CBFB, CREBBP ALDH1A1 3522/4885L3MBTL1 533/4885MAPT 1816/4885
US-20210403482-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 ALDH1A1 1326/4885L3MBTL1 3924/4885MAPT 365/4885
US-20220002270-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 ALDH1A1 1326/4885L3MBTL1 3924/4885MAPT 365/4885

“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.