SCHEMBL458242

SCHEMBL458242

Clc1[c]cc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 3/20 0.43
ESR2 Q92731 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
CYP2A6 P11509 2/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MGLL Q99685 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2B6 P20813 1/20 0.34
KIF11 P52732 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL5584028 0.87 AHR (0.30)
SCHEMBL15063601 0.83 CYP1A2 (0.46) CYP1A2MAPK1TDP1CYP2A6KIF11
SCHEMBL15064183 0.79 MAPK1 (0.42) CYP1A2ALDH1A1MAPK1CYP3A4CYP2A6
SCHEMBL458486 0.79 HPGD (0.39) ALDH1A1HSD17B10TDP1KIF11MEN1
SCHEMBL455467 0.79 TXN (0.36) HSD17B10BCL2L1SMN1; SMN2NPC1RAB9A
SCHEMBL16320151 0.79
SCHEMBL15063921 0.79 ALOX5 (0.50) ESR2TAAR1ALOX5
SCHEMBL15063845 0.76 CYP2A6 (0.52) ALDH1A1HSD17B10CYP2A6SMN1; SMN2KDM4E
SCHEMBL15063974 0.76 TAAR1 (0.48) ESR2TAAR1CYP3A4NOTUM
SCHEMBL15064072 0.76 METAP2 (0.35) TAAR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114615969-A Novel process 帝斯曼知识产权资产管理有限公司 2022-06-10 CN claimed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
CN-102459167-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
CN-110194746-B Compound for treating alzheimer disease, preparation method and application thereof 云南大学 2022-11-18 CN disclosed
CN-107835680-B Novel selective 11-beta-hydroxysteroid dehydrogenase type 1 帝斯曼知识产权资产管理有限公司 2021-11-09 CN disclosed
CN-110423190-A A kind of method of iron complex catalysis ketone alpha-alkyl UNIV JINGCHU TECHNOLOGY 2019-11-08 CN disclosed
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-07-18 US disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP CYP1A2 878/4885ALDH1A1 779/4885ESR2 3639/4885
US-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 CYP1A2 1069/4885ALDH1A1 1661/4885ESR2 1584/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CYP1A2 544/4885ALDH1A1 364/4885ESR2 2261/4885
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS MGLL, LIPA, PNLIP CYP1A2 817/4885ALDH1A1 716/4885ESR2 3664/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CYP1A2 544/4885ALDH1A1 364/4885ESR2 2261/4885

“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.