SCHEMBL533972

SCHEMBL533972

Clc1ccc(-c2cc[c]cc2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.67
CYP1B1 Q16678 1/20 0.56
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMO O15229 2/20 0.40
TP53 P04637 1/20 0.40
SCN9A Q15858 1/20 0.40
PGR P06401 1/20 0.40
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
Fluoride SCHEMBL8022725 0.98 AHR (0.64) AHRCYP1B1NPC1RAB9AKMO
Methane SCHEMBL8006386 0.98 AHR (0.64) AHRCYP1B1NPC1RAB9AKMO
Hydrochloric Acid SCHEMBL8019894 0.98 AHR (0.64) AHRCYP1B1NPC1RAB9AKMO
SCHEMBL29769221 0.82 AHR (1.00) AHRCYP1B1NPC1RAB9AKMO
SCHEMBL137915 0.82 AHR (1.00) AHRCYP1B1NPC1RAB9AKMO
SCHEMBL11516918 0.80 CYP3A4 (0.68) AHRCYP1B1NPC1RAB9ATP53
SCHEMBL533894 0.80 NISCH (0.46) AHRKMOPGR
SCHEMBL533100 0.80 AHR (0.41) AHRCYP1B1KMOPGRESR2
Water SCHEMBL11023201 0.78 AHR (0.70) AHRCYP1B1KMOMEN1KMT2A
SCHEMBL30073229 0.77 AHR (0.78) AHRCYP1B1NPC1RAB9AKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
CN-102459167-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-04-01 CN claimed
CN-102548983-B Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2014-09-17 CN claimed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 US claimed
US-6469029-B1 INHIBITORS OF THROMBIN PRODUCTION VIA FACTOR XA INHIBITION; COUPLED TO MEDICAL DEVICES, SUCH AS STENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-10-22 US claimed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO claimed
WO-2002059127-A2 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-08-01 WO claimed
EP-1212300-A1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 EP claimed
EP-1189905-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-03-27 EP claimed
WO-2001019795-A1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO claimed
WO-2000077001-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO 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 (3 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 AHR 2113/4885CYP1B1 1266/4885NPC1 348/4885
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 AHR 1587/4885CYP1B1 109/4885NPC1 1661/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA AHR 2394/4885CYP1B1 527/4885NPC1 187/4885

“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.