SCHEMBL14469037

SCHEMBL14469037

CC1c2ccc(Br)cc2SC1C=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL14469112 0.87 RAB9A (0.33) ERN1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL12728128 0.75 BRD4 (0.31) —
SCHEMBL14468974 0.66 PNMT (0.36) —
SCHEMBL28092444 0.65 CYP1A2 (0.43) ERN1ALDH1A1CYP1A2
SCHEMBL27856092 0.63 MYC (0.34) ERN1HPGD
SCHEMBL27704528 0.61 TGM2 (0.40) ERN1RAB9A
SCHEMBL28026721 0.61 CA1 (0.36) ERN1ALDH1A1CYP1A2
SCHEMBL28917151 0.61 CA1 (0.33) ERN1ALDH1A1CYP1A2
SCHEMBL18748412 0.61 S100A4 (0.41) ERN1ALDH1A1CYP1A2
SCHEMBL25726443 0.61 MAPK1 (0.40) ALDH1A1CYP1A2RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 — — US 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-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease ABAT, BPTF, TNNT2 ERN1 2731/4885ALDH1A1 224/4885CYP1A2 165/4885

“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.

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