SCHEMBL371069

SCHEMBL371069

O=C(c1ccc[nH]1)c1ccc[nH]1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
CCND3 P30281 1/20 0.52
CDK6 Q00534 1/20 0.52
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2D6 P10635 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1074961 0.85 ALDH1A1 (0.56) TSHRCCND3CDK6RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29381203 0.84 RAB9A (0.54) TSHRCCND3CDK6RAB9ASMN1; SMN2
SCHEMBL1892162 0.84 RAB9A (0.54) TSHRCCND3CDK6RAB9ASMN1; SMN2
SCHEMBL5320628 0.83 TSHR (0.54) TSHRRAB9ASMN1; SMN2ATMMEN1
SCHEMBL1897467 0.82 MAPT (0.56) TSHRCCND3CDK6RAB9ASMN1; SMN2
SCHEMBL7438275 0.82 CCND3 (0.44) TSHRCCND3CDK6RAB9ASMN1; SMN2
SCHEMBL10141202 0.81
SCHEMBL21114388 0.81 TSHR (0.57) TSHRRAB9ASMN1; SMN2CYP2D6CYP1A2
SCHEMBL302811 0.81
SCHEMBL28298 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072796-B Pyrrolone photoinitiation system and application 北京化工大学 2021-05-11 CN claimed
CN-111072796-A Pyrrolone photoinitiation system and application 北京化工大学 2020-04-28 CN claimed
CN-105052946-B A kind of Herbicidal combinations of grass containing azole ketones and topramezone 河南远见农业科技有限公司 2018-01-02 CN claimed
CN-107011320-A Cyclopropyl substituted thiophene naphthenic amine compound and application thereof 广州医科大学 2017-08-04 CN claimed
US-20130245033-A1 AMIDE COMPOUNDS GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2013-09-19 US claimed
EP-2509949-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS University Of Georgia Research Foundation, Inc. (US) 2012-10-17 EP claimed
WO-2011071849-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-06-16 WO claimed
CN-101300345-A Aggrecanase structure WYETH CORP (US) 2008-11-05 CN claimed
CN-1880303-A substituted pyrrolidone synthesized ion liquid and its synthesis method UNIV GUANGDONG TECHNOLOGY (CN) 2006-12-20 CN claimed
US-20030167965-A1 Single cartridge magenta and color ink-jet set EVERLIGHT USA, INC. (US) 2003-09-11 US claimed
EP-0159584-A2 N-(azolylcarbamoyl)-hydroxyl amines and fungicides containing them BASF Aktiengesellschaft (DE) 1985-10-30 EP claimed
EP-0156255-A2 N-((2,3-dihydrobenzofuran)-2-yl)-azolyl ureas and fungicides containing them BASF Aktiengesellschaft (DE) 1985-10-02 EP claimed
EP-0065107-B1 AZOLYLPROPYL-OXIMINO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS FUNGICIDES AND GROWTH REGULATOR FOR PLANTS BAYER AG (DE) 1985-09-18 EP claimed
EP-0047405-B1 AZOLYLALKYL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1984-06-20 EP claimed
EP-0108995-A1 Hydroxyalkinyl-azolyl derivatives BAYER AG (DE) 1984-05-23 EP claimed
EP-0100952-A1 Substituted azolylallyl ketones and carbinols BAYER AG (DE) 1984-02-22 EP claimed
EP-0097881-A2 Substituted azolyl ketones and alcohols BAYER AG (DE) 1984-01-11 EP claimed
EP-0096786-A2 Hydroxyalkynyl-azolyl derivatives, process for their preparation and their use as fungicides BAYER AG (DE) 1983-12-28 EP claimed
EP-0065107-A2 Azolylpropyl-oximino derivatives, process for their preparation and their application as fungicides and growth regulator for plants BAYER AG (DE) 1982-11-24 EP claimed
EP-0007505-A2 Alpha-azolyl-beta-hydroxy-ketones, process for their preparation and their use as fungicides BAYER AG (DE) 1980-02-06 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 (1 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-20130245033-A1 AMIDE COMPOUNDS AR, AVPR2, H1-0 TSHR 125/4885CCND3 935/4885CDK6 1892/4885

“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.