SCHEMBL6984271

SCHEMBL6984271

Oc1ccc2c(-c3cccnc3)csc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 1/20 0.52
CYP3A4 P08684 6/20 0.50
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 3/20 0.50
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 2/20 0.49
MAP3K7 O43318 1/20 0.46
TAB1 Q15750 1/20 0.46
DYRK1A Q13627 2/20 0.45
DYRK1B Q9Y463 1/20 0.45
CYP2A6 P11509 5/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2B6 P20813 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 2/20 0.43
GAA P10253 2/20 0.43
CYP2E1 P05181 2/20 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
SCHEMBL6985680 0.90 CYP19A1 (0.50) NPC1MAPTRAB9ACYP3A4CYP11B1
SCHEMBL6981139 0.89 CYP3A4 (0.54) NPC1MAPTRAB9ACYP3A4CYP11B1
SCHEMBL6985848 0.86 DYRK1A (0.50) CYP3A4CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL6979716 0.84 QPCT (0.41) NPC1MAPTRAB9ACYP3A4CYP11B1
SCHEMBL6984570 0.84 MAP3K7 (0.50) MAPTCYP3A4CYP11B1CYP11B2CYP19A1
SCHEMBL6986136 0.84 CYP11B1 (0.48) NPC1MAPTRAB9ACYP3A4CYP11B1
SCHEMBL6981144 0.84 CYP17A1 (0.50) NPC1MAPTRAB9ACYP3A4CYP11B1
SCHEMBL6985095 0.84 CYP11B1 (0.45) NPC1MAPTRAB9ACYP3A4CYP11B1
SCHEMBL6985775 0.83 MAPT (0.55) NPC1MAPTRAB9ACYP3A4CYP11B1
Hydrochloric Acid SCHEMBL6986821 0.82 CYP17A1 (0.49) NPC1MAPTRAB9ACYP3A4CYP11B1

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 NPC1 693/4885MAPT 2409/4885RAB9A 4646/4885

“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.