SCHEMBL4419261

SCHEMBL4419261

COc1cccc(-c2nc(SC)nc3sc(C(=O)O)c(N)c23)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 8/20 0.77
TSHR P16473 2/20 0.76
BRAF P15056 1/20 0.55
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
FSHR P23945 1/20 0.48
MAPT P10636 8/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LIMK1 P53667 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL4430436 0.92 LHCGR (0.77) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL17467741 0.90 LHCGR (0.82) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4322522 0.89 LHCGR (0.81) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL5025967 0.88 LHCGR (0.62) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4327613 0.87 LHCGR (0.77) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL6427025 0.87 LHCGR (0.78) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4313363 0.87 LHCGR (1.00) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL6217388 0.87 LHCGR (0.59) LHCGRTSHRMAPTLIMK1ALDH1A1
SCHEMBL6216455 0.87 LHCGR (0.59) LHCGRTSHRFSHRMAPTLIMK1
SCHEMBL4326072 0.86 LHCGR (1.00) 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 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.