SCHEMBL6979513

SCHEMBL6979513

COc1ccc(-c2ccc3c(-c4ccncc4)csc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
DYRK1A Q13627 2/20 0.45
KDR P35968 2/20 0.43
GCGR P47871 2/20 0.43
MAPK14 Q16539 2/20 0.43
BMP4 P12644 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
GABRA1 P14867 5/20 0.43
GABRG2 P18507 5/20 0.43
GABRB3 P28472 5/20 0.43
GABRA3 P34903 5/20 0.43
GABRA2 P47869 5/20 0.43
GABRA5 P31644 3/20 0.43
CYP17A1 P05093 1/20 0.43
LIMK1 P53667 1/20 0.42
COMT P21964 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL6984133 0.90 MAPT (0.44) CYP3A4GCGRMAPK14GABRA1GABRG2
Hydrochloric Acid SCHEMBL6981985 0.88 MAPT (0.43) CYP3A4GCGRMAPK14GABRA1GABRG2
SCHEMBL6982148 0.85 CYP11B2 (0.52) CYP3A4KDM4EKDRGABRA1GABRG2
SCHEMBL5815037 0.85 MAOB (0.44) KDM4ENPC1
SCHEMBL6279648 0.79 NOD2 (0.50) CYP3A4KDM4ENPC1
SCHEMBL7501599 0.77 MAOB (0.53) KDM4ENPC1
SCHEMBL6285585 0.77 ALDH1A1 (0.40) KDM4ENPC1
SCHEMBL6982299 0.77 CYP11B2 (0.51) CYP3A4KDM4ECYP17A1NPC1
SCHEMBL22871555 0.77 MAPK13 (0.44) MAPK14
SCHEMBL5043116 0.77 LSS (0.54) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130340-A1 Novel benzothiophene derivatives DAIICHI PHARMACEUTICAL CO. LTD. 2003-07-10 US disclosed
EP-1283209-A1 NOVEL BENZOTHIOPHENE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-12 EP 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 (1 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-20030130340-A1 Novel benzothiophene derivatives CYP17A1, CYP21A2, HSD17B1 CYP3A4 88/4885KDM4E 232/4885USP2 2741/4885

“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.