SCHEMBL1749832

SCHEMBL1749832

O=C(O)c1ccc(NC(=O)C2CCCC2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
PTPN1 P18031 1/20 0.54
NPSR1 Q6W5P4 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL23981743 0.94 KMT2A (0.55) HPGDNPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL11594912 0.85 HPGD (0.61) HPGDPTPN1NPSR1NPC1KDM4E
SCHEMBL11729871 0.84 HPGD (0.55) HPGDPTPN1NPSR1NPC1KDM4E
SCHEMBL4238900 0.83 CASP3 (0.55) HPGDPTPN1NPSR1NPC1SMN1; SMN2
SCHEMBL4387680 0.83 PTPN1 (0.52) HPGDPTPN1NPSR1NPC1SMN1; SMN2
SCHEMBL1749152 0.82 HPGD (0.58) HPGDPTPN1NPSR1NPC1SMN1; SMN2
SCHEMBL24746313 0.81 NPC1 (0.62) PTPN1NPSR1NPC1SMN1; SMN2KDM4E
SCHEMBL1516160 0.79 HPGD (0.58) HPGDPTPN1NPSR1NPC1KDM4E
SCHEMBL30976769 0.79 HPGD (0.58) HPGDPTPN1NPSR1NPC1SMN1; SMN2
SCHEMBL2241850 0.79 ALDH1A1 (0.60) HPGDPTPN1NPC1SMN1; SMN2KDM4E

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 HPGD 21/4885PTPN1 1319/4885NPSR1 432/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 HPGD 13/4885PTPN1 1519/4885NPSR1 394/4885

“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.