SCHEMBL4429264

SCHEMBL4429264

CSc1nc(-c2cccc(OC(=O)OCc3ccc([N+](=O)[O-])cc3)c2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 7/20 0.52
TSHR P16473 2/20 0.51
BRAF P15056 8/20 0.45
PDE4A P27815 5/20 0.45
PDE4B Q07343 5/20 0.45
PDE4C Q08493 5/20 0.45
PDE4D Q08499 5/20 0.45
HTR2A P28223 1/20 0.41
FSHR P23945 1/20 0.40
IKBKB O14920 1/20 0.38
LIMK1 P53667 1/20 0.37

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
SCHEMBL4423912 0.91 LHCGR (0.56) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL5034065 0.90 LHCGR (0.67) LHCGRTSHRHTR2AFSHR
SCHEMBL4430406 0.90 LHCGR (0.58) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4426360 0.82 LHCGR (0.63) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4433012 0.82 LHCGR (0.67) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4906981 0.82 LHCGR (0.56) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4431550 0.82 LHCGR (0.57) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL5140326 0.81 LHCGR (0.73) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL5038376 0.80 LHCGR (0.75) LHCGRTSHRFSHR
SCHEMBL4420434 0.80 LHCGR (0.51) LHCGRTSHRBRAFPDE4APDE4B

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-7618963-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2009-11-17 US 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
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.