SCHEMBL4134484

SCHEMBL4134484

[O]c1ccc(-c2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.56
ALOX5 P09917 1/20 0.46
CYP1A2 P05177 1/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAP4K4 O95819 2/20 0.39
JAK2 O60674 1/20 0.39
NTRK1 P04629 1/20 0.39
MET P08581 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
FLT3 P36888 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
SCHEMBL14715531 0.84 ESR2 (0.57) AHRALOX5CYP1A2ERCC5FEN1
SCHEMBL318986 0.79
SCHEMBL30073229 0.77 AHR (0.78) AHRALOX5CYP1A2ALDH1A1TSHR
SCHEMBL1520954 0.77 AHR (0.78) AHRALOX5CYP1A2ALDH1A1TSHR
SCHEMBL11165087 0.72 CYP1A2 (0.73) AHRALOX5CYP1A2KIF11ALDH1A1
SCHEMBL28215 0.72 CYP1A2 (0.73) AHRALOX5CYP1A2KIF11ALDH1A1
SCHEMBL3952742 0.72 CYP1A2 (0.73) AHRALOX5CYP1A2KIF11ALDH1A1
SCHEMBL307934 0.72 AHR (1.00) AHRALOX5CYP1A2ALDH1A1CYP3A4
SCHEMBL22816665 0.71 CYP3A4 (0.77) AHRALOX5CYP1A2ALDH1A1TSHR
SCHEMBL5007013 0.71 AHR (0.45) AHRALOX5CYP1A2KIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501189-A 2007-01-25 JP claimed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP claimed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO claimed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 AHR 510/4885ALOX5 2693/4885CYP1A2 238/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 AHR 510/4885ALOX5 2693/4885CYP1A2 238/4885

“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.