SCHEMBL6985620

SCHEMBL6985620

NCC(C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.66
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2C9 P11712 2/20 0.54
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
KMT2A Q03164 3/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
MME P08473 1/20 0.47
MEN1 O00255 2/20 0.47
EDNRA P25101 3/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
SRD5A2 P31213 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7269510 1.00 MAPK9 (0.66) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL6367100 0.86 MAPK9 (0.68) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL6367096 0.86 MAPK9 (0.68) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL31062585 0.84 AKR1C3 (0.66) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL7835310 0.84 AKR1C3 (0.66) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL14537417 0.84 AKR1C3 (0.66) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL21656188 0.82 EDNRA (0.62) MAPK9CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL2183809 0.82 MAPK9 (0.63) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL6975784 0.81 RAB9A (0.51) MAPK9CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL7975875 0.81 MAPK9 (0.61) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
EP-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
EP-1034164-A4 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2001-07-11 EP disclosed
EP-1034164-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2000-09-13 EP disclosed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
WO-1999026921-A1 SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-06-03 WO disclosed
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP 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 (2 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX MAPK9 3850/4885CYP1A2 409/4885CYP2C19 2854/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX MAPK9 3850/4885CYP1A2 409/4885CYP2C19 2854/4885

“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.