SCHEMBL435455

SCHEMBL435455

Clc1ccc(-c2[c]cccn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 1/20 0.38
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ACHE P22303 1/20 0.36
MAPK1 P28482 1/20 0.35
NOTUM Q6P988 1/20 0.34
POLB P06746 1/20 0.34
PTPN11 Q06124 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL1202054 0.81 NOTUM (0.37) CYP1A2RAB9AKDM4EALDH1A1GLA
SCHEMBL5539865 0.80 NISCH (0.37) CYP1A2RAB9AKDM4EGAAALDH1A1
SCHEMBL1973038 0.80 MAPK14 (0.36) RAB9AALDH1A1HPGDNPC1KMT2A
SCHEMBL1980545 0.80 ALDH1A1 (0.38) CYP1A2RAB9AKDM4EGAAALDH1A1
SCHEMBL5536566 0.79 AHR (0.45) RAB9AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1968839 0.79 NOTUM (0.42) CYP19A1RAB9ASMN1; SMN2NPC1NOTUM
SCHEMBL2397171 0.79 MAPT (0.42) CYP1A2CYP19A1RAB9AKDM4EALDH1A1
SCHEMBL5542548 0.79 NISCH (0.42) POLB
SCHEMBL5290073 0.76 CYP11B2 (0.43) CYP19A1NOTUM
SCHEMBL1967426 0.76 CLK4 (0.56) CYP19A1RAB9AKDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026050-B Novel compounds as ROR gamma modulators 格兰马克药品股份有限公司 2021-04-30 CN disclosed
CN-111454200-A Compounds and their use for modulating hemoglobin 全球血液疗法股份有限公司 2020-07-28 CN disclosed
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
CN-105051044-A Compounds and their use for modulating hemoglobin GLOBAL BLOOD THERAPEUTICS INC 2015-11-11 CN disclosed
EP-2882722-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS Envoy Therapeutics Inc. (US) 2015-06-17 EP disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-8846949-B2 Pyrrolopyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2014-09-30 US disclosed
WO-2014028479-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. (US) 2014-02-20 WO disclosed
US-20140051688-A1 PYRROLOPYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-02-20 US disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 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 (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-20140051688-A1 PYRROLOPYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1A, CACNA1B, CACNA1E CYP1A2 1227/4885CYP19A1 3710/4885RAB9A 1047/4885

“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.