SCHEMBL6987016

SCHEMBL6987016

CCCOc1ccc2c(-c3cccnc3)csc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAP3K7 O43318 1/20 0.41
TAB1 Q15750 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
Hydrochloric Acid SCHEMBL6981896 0.99 CYP19A1 (0.49) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL6979529 0.95 CYP2C9 (0.56) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6984061 0.94 CYP2C9 (0.55) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL6982852 0.93 CYP2C9 (0.54) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL6981113 0.92 CYP2C9 (0.53) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6981899 0.92 CYP2C9 (0.53) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6979794 0.91 CYP2C9 (0.52) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL6985635 0.90 MAPT (0.56) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6987032 0.89 MAPT (0.54) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL6984109 0.87 CHRNB2 (0.52) CYP19A1CYP2C9CYP2C19CYP3A4CYP2D6

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 3 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
CN-1429224-A Novel benzothiophene derivatives DAIICHI SEIYAKU CO (JP) 2003-07-09 CN 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 CYP19A1 17/4885CYP2C9 100/4885CYP2C19 65/4885

“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.