SCHEMBL6983734

SCHEMBL6983734

c1cncc(-c2csc3cc(-c4ccsc4)ccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2B6 P20813 2/20 0.59
CYP2C19 P33261 2/20 0.59
PPARA Q07869 1/20 0.44
HDAC1 Q13547 1/20 0.44
MAP3K7 O43318 2/20 0.43
TAB1 Q15750 2/20 0.43
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2D6 P10635 1/20 0.41
DYRK1A Q13627 2/20 0.40
DYRK1B Q9Y463 1/20 0.40
LIMK1 P53667 1/20 0.39
FYN P06241 1/20 0.39
CHEK2 O96017 1/20 0.39
PIK3CD O00329 1/20 0.39

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 SCHEMBL6986441 0.99 CYP2A6 (0.57) CYP2A6CYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL6985848 0.89 DYRK1A (0.50) CYP2A6CYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL6985095 0.86 CYP11B1 (0.45) CYP2A6CYP3A4CYP2C9CYP2B6CYP2C19
Hydrochloric Acid SCHEMBL6985047 0.85 CYP11B1 (0.44) CYP2A6CYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL6985680 0.84 CYP19A1 (0.50) CYP2A6CYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL6981139 0.83 CYP3A4 (0.54) CYP3A4CYP2C9CYP2B6CYP2C19MAP3K7
SCHEMBL6989142 0.83 CYP17A1 (0.50) CYP3A4MAP3K7TAB1CYP19A1CYP11B1
SCHEMBL6985775 0.83 MAPT (0.55) CYP3A4CYP2C9CYP2B6CYP2C19MAP3K7
Hydrochloric Acid SCHEMBL6987641 0.82 CYP17A1 (0.52) CYP3A4MAP3K7TAB1CYP19A1CYP11B1
SCHEMBL6983033 0.82 CYP2A6 (0.60) CYP2A6CYP3A4CYP2C9CYP2B6CYP2C19

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 CYP2A6 110/4885CYP3A4 88/4885CYP2C9 100/4885

“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.