SCHEMBL6979716

SCHEMBL6979716

Oc1ccc2c(-c3ccncc3)csc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.41
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
GSK3B P49841 1/20 0.38
RPS6KA3 P51812 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
ERN1 O75460 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
VCP P55072 1/20 0.36
QDPR P09417 1/20 0.35
BRAF P15056 1/20 0.35

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
SCHEMBL6279724 0.87 ESR1 (0.47) NPC1MAPTRAB9ASMN1; SMN2ERN1
SCHEMBL6984271 0.84 NPC1 (0.52) NPC1MAPTRAB9AGFERHSD17B1
SCHEMBL4744425 0.81 CA12 (0.47) MAPTSMN1; SMN2WEE1ERN1ESR1
SCHEMBL5035375 0.81 ESR1 (0.47) NPC1RAB9ASMN1; SMN2ERN1HSD17B1
SCHEMBL5039825 0.81 LSS (0.43) GSK3BRPS6KA3MAPTSMN1; SMN2ERN1
SCHEMBL6279648 0.78 NOD2 (0.50) NPC1MAPTRAB9ASMN1; SMN2ESR1
SCHEMBL6984133 0.76 MAPT (0.44) PDGFRBPDGFRANPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL6981985 0.74 MAPT (0.43) PDGFRBPDGFRANPC1MAPTRAB9A
SCHEMBL6985680 0.74 CYP19A1 (0.50) NPC1MAPTRAB9AGFERPIK3CA
SCHEMBL21295936 0.74 CYP2A6 (0.47) NPC1MAPTRAB9AGFERSMN1; SMN2

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 QPCT 490/4885PDGFRB 1875/4885PDGFRA 2843/4885

“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.