SCHEMBL16795656

SCHEMBL16795656

CC(=O)c1cc2ccc(Cl)cc2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.64
CA12 O43570 1/20 0.64
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 3/20 0.53
LMNA P02545 3/20 0.53
HSD17B10 Q99714 2/20 0.53
GLA P06280 2/20 0.53
HPGD P15428 1/20 0.53
CASP1 P29466 1/20 0.53
BRCA1 P38398 1/20 0.53
CASP7 P55210 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAOB P27338 1/20 0.47
FLT3 P36888 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
CHRNA7 P36544 1/20 0.44

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
SCHEMBL6894785 0.86 KDM4E (0.67) CA9CA12KDM4EALDH1A1GAA
SCHEMBL5601015 0.84 ALDH1A1 (0.58) CA9CA12KDM4EALDH1A1HSD17B10
SCHEMBL28748245 0.81 KDM4E (0.51) CA9CA12KDM4EALDH1A1HSD17B10
SCHEMBL16595532 0.81 CA12 (0.50) CA9CA12KDM4EALDH1A1SMN1; SMN2
SCHEMBL24176986 0.80 ALDH1A1 (0.54) CA9CA12KDM4EALDH1A1GAA
SCHEMBL4507247 0.80 KDM4E (0.74) CA9CA12KDM4EALDH1A1GAA
SCHEMBL13155417 0.80 ALDH1A1 (0.54) CA9CA12KDM4EALDH1A1GAA
SCHEMBL20612448 0.80 GAA (0.54) CA9CA12KDM4EALDH1A1GAA
SCHEMBL16595530 0.79 CA12 (0.49) CA9CA12KDM4EALDH1A1HSD17B10
SCHEMBL13155418 0.79 GAA (0.53) CA9CA12KDM4EALDH1A1GAA

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 22 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
CN-114945408-B Thienopyrimidinones as TRPA1 inhibitors 勃林格殷格翰国际有限公司 2024-04-16 CN disclosed
US-11578080-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-02-14 US disclosed
US-11578080-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-02-14 US disclosed
CN-114945408-A Thienopyrimidinones as TRPA1 inhibitors 勃林格殷格翰国际有限公司 2022-08-26 CN disclosed
EP-4045144-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-08-24 EP 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
US-20210395267-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INT (DE) 2021-12-23 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
EP-3243826-B1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2019-10-30 EP 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
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
WO-2015087094-A1 NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SEMMELWEIS EGYETEM (HU) 2015-06-18 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 (5 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-11578080-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 CA9 4179/4885CA12 4673/4885KDM4E 3740/4885
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC CA9 4460/4885CA12 1311/4885KDM4E 3178/4885
US-20210107919-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 CA9 4612/4885CA12 4832/4885KDM4E 3563/4885
US-20210395267-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 CA9 4612/4885CA12 4832/4885KDM4E 3563/4885
US-20220106304-A1 Transcription Factor BRN2 Inhibitory Compounds as Therapeutics and Methods for Their Use BRDT, CBFB, CREBBP CA9 2558/4885CA12 1280/4885KDM4E 2015/4885

“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.