SCHEMBL317207

SCHEMBL317207

Cc1cc(Cl)c2cccc(Br)c2n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
CRHR1 P34998 4/20 0.56
NR4A2 P43354 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.48
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40

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
SCHEMBL3063558 0.83 NR4A2 (0.71) MAPTL3MBTL1CRHR1NR4A2LMNA
SCHEMBL7697568 0.81 ENPP3 (0.46) MAPTL3MBTL1CRHR1NR4A2SMN1; SMN2
SCHEMBL318514 0.81 MAPT (0.64) MAPTL3MBTL1CRHR1NR4A2SMN1; SMN2
SCHEMBL2284354 0.81 KDM4E (0.62) MAPTL3MBTL1CRHR1NR4A2SMN1; SMN2
SCHEMBL5249809 0.79 MAPT (0.57) MAPTL3MBTL1NR4A2SMN1; SMN2GAA
SCHEMBL439824 0.79 NR4A2 (0.65) MAPTL3MBTL1NR4A2SMN1; SMN2GAA
SCHEMBL3051550 0.79 MAPT (0.60) MAPTL3MBTL1CRHR1NR4A2LMNA
SCHEMBL661993 0.79 MAPT (0.60) MAPTL3MBTL1CRHR1NR4A2LMNA
SCHEMBL461099 0.78 MAPT (0.69) MAPTL3MBTL1CRHR1NR4A2GAA
SCHEMBL10005935 0.77 MAPT (0.72) MAPTL3MBTL1CRHR1NR4A2GAA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649110-B1 MYCOBACTERIUM-TUBERCOLOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS ANTITUBERCULOSIS DRUG UNIV DORTMUND TECH (DE) 2021-09-08 EP disclosed
EP-3649110-A1 MYOBACTERIUM TUBERCULOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS AN ANTITUBERCULAR AGENT Technische Universität Dortmund (DE) 2020-05-13 EP disclosed
WO-2019007710-A1 MYOBACTERIUM TUBERCULOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS AN ANTITUBERCULAR AGENT TECHNISCHE UNIVERSITÄT DORTMUND (DE) 2019-01-10 WO disclosed
EP-3424906-A1 MYCOBACTERIUM-TUBERCOLOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS ANTITUBERCULOSIS DRUG Technische Universität Dortmund (DE) 2019-01-09 EP disclosed
WO-2017198756-A1 QUINOLINE COMPOUNDS FOR INCREASING INSULINE RELEASE MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-11-23 WO disclosed
EP-3246028-A1 QUINOLINE COMPOUNDS FOR INCREASING INSULINE RELEASE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-11-22 EP disclosed
US-8420670-B2 4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2013-04-16 US disclosed
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-09-02 US disclosed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
EP-2178842-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2010-04-28 EP disclosed
WO-2009024611-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2009-02-26 WO disclosed
EP-0966442-B1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY DUPHAR INT RES (NL) 2006-12-20 EP disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 WO disclosed
US-6350750-B1 TREATMENT OF STRESS-RELATED DISORDERS; ARYLATION WITH BORONIC ACID DERIVATIVE, AMINATION DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2002-02-26 US disclosed
EP-0966442-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1999-12-29 EP disclosed
WO-1999012908-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1999-03-18 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 (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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 MAPT 2642/4885L3MBTL1 4386/4885CRHR1 74/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 MAPT 4719/4885L3MBTL1 4455/4885CRHR1 49/4885
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GDI2, GDI1, NQO2 MAPT 2051/4885L3MBTL1 4811/4885CRHR1 4625/4885

“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.