SCHEMBL3568042

SCHEMBL3568042

Nc1ccccc1NC(=O)c1cc2cc(NC(=O)CN3CCCC3)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
POLB P06746 1/20 0.47
HDAC2 Q92769 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TERT O14746 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
MGLL Q99685 1/20 0.46
HPGD P15428 1/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3576763 0.92 HDAC1 (0.49) HDAC1POLBHDAC2SMN1; SMN2TERT
SCHEMBL3573179 0.92 HDAC1 (0.47) HDAC1HDAC2KDM4EALDH1A1TP53
SCHEMBL3575393 0.92 WNT3A (0.51) HDAC1SMN1; SMN2KDM4EALDH1A1MGLL
SCHEMBL3573597 0.92 MGLL (0.48) HDAC1HDAC2SMN1; SMN2KDM4EALDH1A1
SCHEMBL8252441 0.84 HDAC1 (0.61) HDAC1POLBSMN1; SMN2TERTKDM4E
SCHEMBL3576784 0.84 MGLL (0.48) HDAC1HDAC2SMN1; SMN2KDM4EALDH1A1
SCHEMBL3566111 0.84 HDAC1 (0.47) HDAC1HDAC2TP53
SCHEMBL3574758 0.84 WNT3A (0.51) HDAC1SMN1; SMN2KDM4EALDH1A1MGLL
SCHEMBL3575108 0.83 HDAC1 (0.55) HDAC1HDAC2
SCHEMBL5808215 0.83 HDAC1 (0.60) HDAC1POLBSMN1; SMN2TERTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 EP claimed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US claimed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP claimed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO claimed
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
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 HDAC1 4/4885POLB 3812/4885HDAC2 8/4885

“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.