SCHEMBL3577010

SCHEMBL3577010

Nc1ccccc1NC(=O)c1cc2ccc(C(NCCc3ccccc3)C(=O)NCCN3CCOCC3)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 10/20 0.46
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
CCR2 P41597 1/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
CASP1 P29466 2/20 0.42
HTT P42858 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3569581 0.92 CCR2 (0.50) TACR2HDAC1HDAC3HDAC2CCR2
SCHEMBL3570726 0.85 HDAC2 (0.53) HDAC1HDAC3HDAC2
SCHEMBL3570455 0.81 HDAC1 (0.51) HDAC1HDAC3HDAC2
SCHEMBL3573269 0.79 HDAC2 (0.53) HDAC1HDAC3HDAC2
SCHEMBL3578461 0.78 HDAC2 (0.50) HDAC1HDAC3HDAC2
SCHEMBL3565572 0.78 KMT2A (0.50) HDAC1HDAC3HDAC2KMT2A
SCHEMBL3561384 0.77 HDAC2 (0.51) HDAC1HDAC3HDAC2ALDH1A1
SCHEMBL3565977 0.77 HDAC2 (0.47) HDAC1HDAC3HDAC2
SCHEMBL3574147 0.75 HDAC1 (0.46) HDAC1HDAC2MEN1KMT2A
SCHEMBL3567420 0.75 HDAC2 (0.49) TACR2HDAC1HDAC3HDAC2CCR2

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 7 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 claimed
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
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 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-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 TACR2 3444/4885HDAC1 4/4885HDAC3 10/4885

“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.