SCHEMBL1749529

SCHEMBL1749529

O=C(O)c1cn(-c2ccc(-c3ccccc3)cc2)nn1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGT O15294 2/20 0.53
ESRRA P11474 4/20 0.52
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
CA4 P22748 2/20 0.51
STIM1 Q13586 3/20 0.47
ORAI1 Q96D31 3/20 0.47
RIPK1 Q13546 1/20 0.47
PTGS2 P35354 2/20 0.46
CA12 O43570 1/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
PTGS1 P23219 1/20 0.46
MIF P14174 1/20 0.45

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
SCHEMBL69876 0.90 ESRRA (0.62) ESRRACA1CA2CA9CA4
SCHEMBL28801446 0.88 ESRRA (0.60) ESRRACA1CA2CA9CA4
SCHEMBL27877288 0.83 ESRRA (0.57) ESRRACA1CA2CA9CA4
SCHEMBL31166241 0.82 P2RY14 (0.48)
SCHEMBL11902351 0.81 CA1 (0.57) ESRRACA1CA2CA9CA4
SCHEMBL2330243 0.81 CA1 (0.57) ESRRACA1CA2CA9CA4
SCHEMBL3477570 0.81 CA1 (0.57) ESRRACA1CA2CA9CA4
SCHEMBL31734379 0.81 HPGDS (0.57) ESRRACA1CA2CA9CA4
SCHEMBL27911606 0.80 CA1 (0.56) ESRRACA1CA2CA9CA4
SCHEMBL4708257 0.79 MAOA (0.49) ESRRACA1CA2CA9CA4

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 OGT 454/4885ESRRA 2387/4885CA1 1360/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 OGT 389/4885ESRRA 2544/4885CA1 1664/4885

“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.