SCHEMBL6985680

SCHEMBL6985680

Oc1ccc(-c2ccc3c(-c4cccnc4)csc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 3/20 0.49
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 4/20 0.44
CYP17A1 P05093 3/20 0.44
GAA P10253 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP2C19 P33261 2/20 0.43
PKM P14618 1/20 0.43
VCP P55072 1/20 0.43
CYP1A2 P05177 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
MAP3K7 O43318 1/20 0.43
TAB1 Q15750 1/20 0.43

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
SCHEMBL6985095 0.92 CYP11B1 (0.45) CYP19A1CYP11B1CYP11B2MAPTNPC1
SCHEMBL6985848 0.91 DYRK1A (0.50) CYP19A1CYP11B1CYP11B2CYP3A4CYP17A1
SCHEMBL6981139 0.90 CYP3A4 (0.54) CYP19A1CYP11B1CYP11B2MAPTNPC1
Hydrochloric Acid SCHEMBL6985047 0.90 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2MAPTNPC1
SCHEMBL6984271 0.90 NPC1 (0.52) CYP19A1CYP11B1CYP11B2MAPTNPC1
SCHEMBL6989142 0.88 CYP17A1 (0.50) CYP19A1CYP11B1CYP11B2MAPTNPC1
SCHEMBL6985775 0.88 MAPT (0.55) CYP19A1CYP11B1CYP11B2MAPTNPC1
Hydrochloric Acid SCHEMBL6987641 0.86 CYP17A1 (0.52) CYP19A1CYP11B1CYP11B2MAPTNPC1
SCHEMBL6982148 0.84 CYP11B2 (0.52) CYP19A1CYP11B1CYP11B2MAPTNPC1
SCHEMBL6987081 0.84 MAP3K7 (0.40) CYP11B1CYP3A4CYP2D6CYP2C9CYP2B6

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 CYP19A1 17/4885CYP11B1 8/4885CYP11B2 18/4885

“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.