SCHEMBL4423871

SCHEMBL4423871

CCc1cc2nc(SC)nc(-c3cccc(OC)c3)c2c(O)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 4/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
P2RX3 P56373 1/20 0.41
GRK6 P43250 1/20 0.39
KMT2A Q03164 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
AHR P35869 1/20 0.38
NR1I3 Q14994 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL4430395 0.82 LHCGR (0.51) LHCGRTSHRLMNAKDM4EHSD17B10
SCHEMBL4423867 0.78 LHCGR (0.48) LHCGRTSHRLMNAKDM4EHSD17B10
SCHEMBL4428948 0.77 LHCGR (0.52) LHCGRTSHRLMNAKDM4EADORA2A
SCHEMBL27502613 0.76 LHCGR (0.63) LHCGRTSHRKMT2ACYP1A2CYP3A4
SCHEMBL4423898 0.75 LHCGR (0.55) LHCGRTSHRLMNAKDM4EHSD17B10
SCHEMBL7143226 0.72 LHCGR (0.51) LHCGRTSHRLMNAKDM4EHSD17B10
SCHEMBL4423876 0.71 LHCGR (0.56) LHCGRTSHRADORA2A
SCHEMBL4432167 0.71 LHCGR (0.54) LHCGRTSHRLMNAKDM4EHSD17B10
SCHEMBL4425051 0.71 KDM4E (0.55) LHCGRTSHRLMNAKDM4EHSD17B10
SCHEMBL4418728 0.71 LHCGR (0.57) LHCGRTSHRKDM4EADORA2A

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 7 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
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
EP-1322651-A1 BICYCLIC HETEROAROMATIC COMPOUNDS Akzo Nobel N.V. (NL) 2003-07-02 EP disclosed
WO-2002024703-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AKZO NOBEL N.V. (NL) 2002-03-28 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-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 13/4885TSHR 1000/4885LMNA 1352/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 10/4885TSHR 517/4885LMNA 1181/4885

“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.