SCHEMBL734955

SCHEMBL734955

O=C1Nc2ccc(Cl)c(Cl)c2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 14/20 1.00
TGM2 P21980 4/20 0.46
PDE7A Q13946 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
DUSP3 P51452 1/20 0.40
BLM P54132 1/20 0.40
PTPN5 P54829 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN11 Q06124 1/20 0.40
MCL1 Q07820 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
NSD2 O96028 1/20 0.37
BCHE P06276 1/20 0.37
DAO P14920 1/20 0.37
DNMT1 P26358 1/20 0.37

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
SCHEMBL29253561 0.82 CES1 (0.69) CES1TGM2MEN1POLBMAPT
SCHEMBL7048273 0.81 CES1 (0.67) CES1TGM2PDE7A
SCHEMBL7048275 0.81 CES1 (0.67) CES1TGM2PDE7A
SCHEMBL29446052 0.80 CES1 (0.67) CES1TGM2MEN1POLBMAPT
SCHEMBL2496190 0.80 CES1 (0.67) CES1TGM2MEN1POLBMAPT
SCHEMBL19260393 0.80 CES1 (0.67) CES1TGM2MEN1POLBMAPT
SCHEMBL5738366 0.80 CES1 (0.67) CES1TGM2MEN1POLBMAPT
SCHEMBL6177499 0.80 CES1 (0.67) CES1TGM2MEN1POLBMAPT
SCHEMBL2372330 0.80 CES1 (0.67) CES1TGM2MEN1POLBMAPT
SCHEMBL31103242 0.80 CES1 (0.67) CES1TGM2MEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479765-B2 Substituted N,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-11-19 US disclosed
US-10189788-B2 Substituted N,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-29 US disclosed
US-20190002409-A1 SUBSTITUTED N,2-DIARYLQUINOLINE-4-CARBOXAMIDES AND THE USE THEREOF AS ANTI-INFLAMMATORY AGENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-03 US disclosed
US-10117864-B2 Substituted N-bicyclo-2-aryl-quinolin-4-carboxamides and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
CN-105330666-B Tryptamines ketone derivatives, synthetic method and its pharmaceutical usage 西北大学 2018-10-30 CN disclosed
US-20180036300-A1 SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-08 US disclosed
US-20170260140-A1 SUBSTITUTED N,2-DIARYLQUINOLINE-4-CARBOXAMIDES AND THE USE THEREOF AS ANTI-INFLAMMATORY AGENTS Bayer Pharma Aktiengesekkschaft (DE) 2017-09-14 US disclosed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
CN-105330666-A Novel tryptanthrin derivative, synthetic method and medicinal application thereof UNIV NORTHWESTERN 2016-02-17 CN disclosed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed
US-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 US disclosed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 WO disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 WO disclosed
US-4489003-A ANTICONVULSANTS, TRANQUILLIZERS HOFFMANN-LA ROCHE INC. (US) 1984-12-18 US disclosed
EP-0002624-B1 2-BENZAZEPINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-10-14 EP disclosed
EP-0002624-A1 2-Benzazepine compounds, processes for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-06-27 EP disclosed
US-4146718-A BLOOD PLATELET ANTIAGGREGATIVE AGENT BRISTOL-MYERS COMPANY (US) 1979-03-27 US 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 (7 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-10479765-B2 Substituted N,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents AADAC, NFKBIA, NOD2 CES1 289/4885TGM2 566/4885PDE7A 1008/4885
US-20170260140-A1 SUBSTITUTED N,2-DIARYLQUINOLINE-4-CARBOXAMIDES AND THE USE THEREOF AS ANTI-INFLAMMATORY AGENTS AADAC, NFKBIA, NOD2 CES1 289/4885TGM2 566/4885PDE7A 1008/4885
US-20190002409-A1 SUBSTITUTED N,2-DIARYLQUINOLINE-4-CARBOXAMIDES AND THE USE THEREOF AS ANTI-INFLAMMATORY AGENTS AADAC, NFKBIA, NOD2 CES1 289/4885TGM2 566/4885PDE7A 1008/4885
US-10117864-B2 Substituted N-bicyclo-2-aryl-quinolin-4-carboxamides and use thereof AADAC, BRD4, GOT2 CES1 286/4885TGM2 638/4885PDE7A 1827/4885
US-20180036300-A1 SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF AADAC, BRD4, GOT2 CES1 286/4885TGM2 638/4885PDE7A 1827/4885
US-10189788-B2 Substituted N,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents AADAC, NFKBIA, NOD2 CES1 289/4885TGM2 566/4885PDE7A 1008/4885
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 CES1 272/4885TGM2 802/4885PDE7A 1437/4885

“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.