SCHEMBL1749751

SCHEMBL1749751

CC(C)C(=O)Nc1cccc(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.57
RXRB P28702 3/20 0.57
RXRG P48443 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 2/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
MGLL Q99685 1/20 0.53
LMNA P02545 1/20 0.52
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL6251216 0.92 RXRA (0.50) RXRARXRBRXRGSMN1; SMN2MEN1
SCHEMBL12805649 0.89 MGLL (0.66) SMN1; SMN2MEN1KMT2AHTTTP53
SCHEMBL5944247 0.86 PARP1 (0.60) SMN1; SMN2MEN1KMT2AHTTTP53
SCHEMBL13529014 0.85 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AHTTTP53
SCHEMBL28176133 0.84 CNR1 (0.58) SMN1; SMN2MEN1KMT2AHTTTP53
SCHEMBL1749196 0.83 MEN1 (0.59) RXRARXRBRXRGSMN1; SMN2MEN1
SCHEMBL13406087 0.83 ALDH1A1 (0.62) SMN1; SMN2MEN1KMT2AHTTTP53
SCHEMBL11624044 0.81 CNR1 (0.58) SMN1; SMN2MEN1KMT2AHTTTP53
SCHEMBL7278525 0.79 ALDH1A1 (0.71) SMN1; SMN2MEN1KMT2AHTTMAPT
SCHEMBL8457167 0.78 ADORA3 (0.71) SMN1; SMN2MEN1KMT2AMGLLALDH1A1

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 4 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
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

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 RXRA 2157/4885RXRB 2226/4885RXRG 2148/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 RXRA 1871/4885RXRB 1860/4885RXRG 1821/4885

“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.