SCHEMBL1749706

SCHEMBL1749706

Cc1cc(C(=O)O)ccc1NC(=O)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 3/20 0.50
THRB P10828 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 1/20 0.47
P2RX7 Q99572 2/20 0.47

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
SCHEMBL1749404 0.83 SMN1; SMN2 (0.64) KMT2ASMN1; SMN2GAAKDM4EHSD17B10
SCHEMBL1749397 0.82 MAPK1 (0.53) KMT2AGAAKDM4EHSD17B10ALDH1A1
SCHEMBL25668704 0.80 KMT2A (0.70) KMT2AGAANPSR1LMNANPC1
SCHEMBL13906503 0.79 ALDH1A1 (0.70) KMT2ASMN1; SMN2GAAKDM4EHSD17B10
SCHEMBL4601078 0.79 HDAC1 (0.58) KMT2ASMN1; SMN2GAAKDM4EHSD17B10
SCHEMBL6556860 0.79 HCAR3 (0.63) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL13129144 0.78 KMT2A (0.62) KMT2ASMN1; SMN2GAAKDM4EHSD17B10
SCHEMBL18088736 0.78 ALDH1A1 (0.68) KMT2AGAAALDH1A1LMNANPC1
SCHEMBL25139511 0.77 KDM4E (0.63) KMT2ASMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL30048611 0.77 KDM4E (0.63) KMT2ASMN1; SMN2GAAKDM4EALDH1A1

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 KMT2A 4317/4885SMN1; SMN2 1857/4885GAA 1379/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 KMT2A 4320/4885SMN1; SMN2 1946/4885GAA 1364/4885

“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.