SCHEMBL1750552

SCHEMBL1750552

O=C(O)c1ccc(COC2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
SRD5A2 P31213 1/20 0.46
ALDH1A1 P00352 2/20 0.45
RXRA P19793 6/20 0.44
RXRB P28702 6/20 0.44
RXRG P48443 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
NR4A2 P43354 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
EPHX2 P34913 2/20 0.43
EPHX1 P07099 1/20 0.43
PTGES O14684 1/20 0.43
TAS2R14 Q9NYV8 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
SCHEMBL1749785 0.98 KMT2A (0.51) KMT2ASRD5A2ALDH1A1RXRARXRB
SCHEMBL1750107 0.95 KMT2A (0.47) KMT2ASRD5A2ALDH1A1RXRARXRB
SCHEMBL927089 0.91 ALDH1A1 (0.49) KMT2AALDH1A1RXRARXRBRXRG
SCHEMBL13737704 0.88 KMT2A (0.42) KMT2AALDH1A1RXRARXRBRXRG
SCHEMBL13737706 0.88 KMT2A (0.42) KMT2AALDH1A1RXRARXRBRXRG
SCHEMBL15317131 0.88 KMT2A (0.42) KMT2AALDH1A1RXRARXRBRXRG
SCHEMBL13267207 0.87 RXRA (0.48) KMT2AALDH1A1RXRARXRBRXRG
SCHEMBL4468024 0.84 SLC6A2 (0.52) KMT2AALDH1A1RXRARXRBRXRG
SCHEMBL14967005 0.84 KMT2A (0.51) KMT2ASRD5A2ALDH1A1MEN1EPHX2
SCHEMBL4962479 0.84 CARM1 (0.48)

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 4317/4885SRD5A2 289/4885ALDH1A1 286/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 KMT2A 4320/4885SRD5A2 353/4885ALDH1A1 374/4885

“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.