SCHEMBL4420434

SCHEMBL4420434

CSc1nc(-c2cccc(NC(=O)Oc3ccc([N+](=O)[O-])cc3)c2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 6/20 0.51
TSHR P16473 1/20 0.51
BRAF P15056 11/20 0.48
FSHR P23945 1/20 0.46
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LIMK1 P53667 1/20 0.39

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
SCHEMBL5034024 0.90 LHCGR (0.65) LHCGRTSHRFSHRMEN1NPC1
SCHEMBL4422658 0.90 LHCGR (0.58) LHCGRTSHRBRAFFSHRPDE4A
SCHEMBL4421671 0.88 BRAF (0.51) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4423912 0.87 LHCGR (0.56) LHCGRTSHRBRAFFSHRPDE4A
SCHEMBL4421622 0.85 LHCGR (0.60) LHCGRTSHRBRAFFSHRPDE4A
SCHEMBL4906981 0.83 LHCGR (0.56) LHCGRTSHRBRAFFSHRPDE4A
SCHEMBL4422865 0.82 LHCGR (0.54) LHCGRTSHRBRAFFSHRPDE4A
SCHEMBL4429264 0.80 LHCGR (0.52) LHCGRTSHRBRAFFSHRPDE4A
SCHEMBL4432358 0.79 LHCGR (0.55) LHCGRTSHRBRAFFSHRPDE4A
SCHEMBL4423451 0.79 LHCGR (0.51) LHCGRTSHRBRAFFSHRPDE4A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618963-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2009-11-17 US disclosed
EP-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 EP disclosed
EP-1322651-B1 BICYCLIC HETEROAROMATIC COMPOUNDS ORGANON NV (NL) 2008-01-23 EP disclosed
US-20070197527-A1 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-08-23 US disclosed
US-7229990-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-06-12 US disclosed
CN-1247594-C Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2006-03-29 CN disclosed
CN-1462273-A Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2003-12-17 CN disclosed
US-20030225113-A1 Bicyclic heteroaromatic compounds MERCK SHARP & DOHME B.V. (NL) 2003-12-04 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-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 13/4885TSHR 1000/4885BRAF 4474/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 10/4885TSHR 517/4885BRAF 4242/4885

“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.