SCHEMBL1749404

SCHEMBL1749404

COc1cc(C(=O)O)ccc1NC(=O)C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
TSHR P16473 1/20 0.59
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 3/20 0.52
RAB9A P51151 2/20 0.52
PYGL P06737 2/20 0.52
USP2 O75604 1/20 0.52
MAPT P10636 1/20 0.52
GRM4 Q14833 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51
TPMT P51580 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
KMT2A Q03164 4/20 0.51

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
SCHEMBL30048611 0.94 KDM4E (0.63) SMN1; SMN2TSHRKDM4EALDH1A1PYGL
SCHEMBL25139511 0.94 KDM4E (0.63) SMN1; SMN2TSHRKDM4EALDH1A1PYGL
SCHEMBL1750448 0.84 PYGL (0.49) SMN1; SMN2TSHRKDM4EALDH1A1HSD17B10
SCHEMBL30047899 0.83 KDM4E (0.70) SMN1; SMN2TSHRKDM4EALDH1A1HSD17B10
SCHEMBL24814268 0.83 KDM4E (0.70) SMN1; SMN2TSHRKDM4EALDH1A1HSD17B10
SCHEMBL26154084 0.83 KMT2A (0.69) SMN1; SMN2TSHRKDM4EALDH1A1HSD17B10
SCHEMBL1749706 0.83 KMT2A (0.57) SMN1; SMN2KDM4EALDH1A1HSD17B10RAB9A
SCHEMBL25139555 0.83 KDM4E (0.56) SMN1; SMN2TSHRKDM4EALDH1A1MAPT
SCHEMBL13581616 0.82 KMT2A (0.72) SMN1; SMN2TSHRKDM4EALDH1A1HSD17B10
SCHEMBL28587997 0.81 SMN1; SMN2 (0.68) SMN1; SMN2TSHRKDM4EALDH1A1HSD17B10

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 SMN1; SMN2 1857/4885TSHR 3707/4885KDM4E 2966/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 SMN1; SMN2 1946/4885TSHR 3597/4885KDM4E 2896/4885

“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.