SCHEMBL6979529

SCHEMBL6979529

CCCCOc1ccc2c(-c3cccnc3)csc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.56
CYP2C19 P33261 4/20 0.56
CYP19A1 P11511 4/20 0.56
CYP2D6 P10635 3/20 0.56
CYP3A4 P08684 2/20 0.56
ATP4A P20648 2/20 0.47
ATP4B P51164 2/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.44

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 SCHEMBL6984061 0.99 CYP2C9 (0.55) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL6982852 0.98 CYP2C9 (0.54) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL6981113 0.97 CYP2C9 (0.53) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL6981899 0.97 CYP2C9 (0.53) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL6979794 0.96 CYP2C9 (0.52) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL6987016 0.95 CYP19A1 (0.50) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL6981896 0.94 CYP19A1 (0.49) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL6985635 0.90 MAPT (0.56) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL6987032 0.89 MAPT (0.54) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL6984109 0.87 CHRNB2 (0.52) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4

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 CYP2C9 100/4885CYP2C19 65/4885CYP19A1 17/4885

“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.