SCHEMBL1749397

SCHEMBL1749397

O=C(O)c1ccc(NC(=O)C2CCCC2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
GRM4 Q14833 1/20 0.53
PYGL P06737 2/20 0.51
TSHR P16473 2/20 0.51
KMT2A Q03164 4/20 0.50
GAA P10253 1/20 0.50
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GCGR P47871 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL1749706 0.82 KMT2A (0.57) KMT2AGAAALDH1A1MEN1KDM4E
SCHEMBL1749404 0.80 SMN1; SMN2 (0.64) GRM4PYGLTSHRKMT2AGAA
SCHEMBL18208333 0.79 HDAC3 (0.58) MAPK1GRM4TSHRKMT2AGAA
SCHEMBL30286901 0.78 MAPK1 (0.61) MAPK1GRM4TSHRKMT2AGAA
SCHEMBL28570208 0.78 MAPK1 (0.61) MAPK1GRM4TSHRKMT2AGAA
Bicarbonate SCHEMBL19664773 0.77 RAB9A (0.69) MAPK1KMT2AGAAALDH1A1CYP2C19
SCHEMBL3711806 0.76 RAB9A (0.73) MAPK1KMT2AGAAALDH1A1CYP2C19
SCHEMBL1750448 0.76 PYGL (0.49) PYGLTSHRKMT2AGAAALDH1A1
SCHEMBL4289814 0.76 ADORA2A (0.61) MAPK1GRM4TSHRKMT2AGAA
SCHEMBL24906148 0.75 ALDH1A1 (0.57) MAPK1GRM4TSHRKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 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 (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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 MAPK1 496/4885GRM4 2784/4885PYGL 397/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPK1 745/4885GRM4 2623/4885PYGL 356/4885

“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.