SCHEMBL483553

SCHEMBL483553

N#Cc1ccccc1C[O]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FFAR1 O14842 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GALR3 O60755 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 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
SCHEMBL30123731 0.81 CYP19A1 (0.46) CYP19A1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL5327089 0.81 CYP19A1 (0.46) CYP19A1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL106062 0.81 TSHR (0.50) CYP19A1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL6958245 0.80 CA1 (0.37) CYP19A1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL2153612 0.80 CYP19A1 (0.48) CYP19A1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL2154210 0.80 SMN1; SMN2 (0.49) CYP19A1ALDH1A1SMN1; SMN2TSHRMAPT
Ethane SCHEMBL2154770 0.79 TSHR (0.48) CYP19A1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL15018240 0.79 NOTUM (0.36) CYP19A1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL19356915 0.78 CYP19A1 (0.47) CYP19A1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL4797057 0.77 CYP19A1 (0.43) CYP19A1ALDH1A1SMN1; SMN2TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572278-B Genipin derivative and preparation method and application thereof 北京志道生物科技有限公司 2023-09-01 CN claimed
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US claimed
CN-115572278-A Genipin derivative and preparation method and application thereof 北京志道生物科技有限公司 2023-01-06 CN claimed
EP-3246328-B1 QUINAZOLINE HETEROCYCLIC COMPOUND AS EGFR KINASE INHIBITOR, AND PREPARATION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2020-07-22 EP claimed
US-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 US claimed
EP-3429997-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-01-23 EP claimed
EP-2978852-B1 PRODUCTION OF PYRIPYROPENES FROM DRY BIOMASS BASF SE (DE) 2018-10-17 EP claimed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US claimed
WO-2018119263-A1 HETEROCYCLIC COMPOUNDS DERIVATIVES AS PD-L1 INTERNALIZATION INDUCERS INCYTE CORPORATION (US) 2018-06-28 WO claimed
WO-2017157885-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 WO claimed
CN-101505603-A Boron-containing small molecules ANACOR PHARMACEUTICALS INC (US) 2009-08-12 CN claimed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP claimed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO claimed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US claimed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP claimed
EP-0398692-B1 Alkoxyiminoacetamide derivatives and their use as fungicides SHIONOGI & CO (JP) 1996-08-21 EP claimed
US-5371222-A Intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-12-06 US claimed
US-5371223-A Controlling phytopathogens SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-12-06 US claimed
US-5185342-A ALKOXYIMINOACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-09 US claimed
EP-0398692-A2 Alkoxyiminoacetamide derivatives and their use as fungicides SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1990-11-22 EP claimed

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

For each of this compound's patents that has machine-readable text (4 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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES CHRM1, CHRM2, ACHE CYP19A1 249/4885ALDH1A1 606/4885SMN1; SMN2 3186/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 CYP19A1 2229/4885ALDH1A1 3692/4885SMN1; SMN2 4595/4885
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 CYP19A1 811/4885ALDH1A1 122/4885SMN1; SMN2 4043/4885
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 CYP19A1 811/4885ALDH1A1 122/4885SMN1; SMN2 4043/4885

“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.