SCHEMBL3630049

SCHEMBL3630049

O=C1C=CC2=CCSC2=C1

nearest known ligand 0.30

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ MDM2 Q00987 1/20 0.30
▸ DHODH Q02127 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ APOBEC3G Q9HC16 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3319778 0.64 — —
SCHEMBL1363896 0.62 — —
SCHEMBL592447 0.61 MAOA (0.54) ALDH1A1BCHEPOLBMAOAACHE
SCHEMBL207437 0.60 — —
SCHEMBL1903027 0.60 — —
SCHEMBL12570784 0.59 MAOA (0.41) ALDH1A1BCHEPOLBMAOAACHE
SCHEMBL6429181 0.57 — —
SCHEMBL3842544 0.56 ALDH1A1 (0.32) ALDH1A1BCHEPOLBMAOAACHE
SCHEMBL18342516 0.56 ALDH1A1 (0.32) ALDH1A1BCHEPOLBMAOAACHE
SCHEMBL9490466 0.55 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 — — EP disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 — — US disclosed
CN-101163690-A Benzothiophene hydroxamic acid derivatives MERCK & CO INC (US) 2008-04-16 — — CN disclosed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 — — EP disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 — — WO 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-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 ALDH1A1 914/4885BCHE 860/4885POLB 3812/4885

“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.

Send feedback