SCHEMBL3574758

SCHEMBL3574758

Nc1ccccc1NC(=O)c1cc2ccc(NC(=O)CN3CCOCC3)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 4/20 0.51
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 2/20 0.47

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
SCHEMBL3575393 0.93 WNT3A (0.51) WNT3ALMNASMN1; SMN2MGLLALDH1A1
SCHEMBL3576763 0.92 HDAC1 (0.49) SMN1; SMN2MGLLALDH1A1TDP1KDM4E
SCHEMBL3560359 0.89 SMN1; SMN2 (0.53) LMNASMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL3566111 0.89 HDAC1 (0.47) MAPTHDAC1
SCHEMBL3576784 0.89 MGLL (0.48) LMNASMN1; SMN2MGLLALDH1A1GAA
SCHEMBL3576103 0.87 POLB (0.53) LMNASMN1; SMN2ALDH1A1GAANPSR1
SCHEMBL1892705 0.85 HDAC1 (0.57) LMNASMN1; SMN2ALDH1A1GAANPSR1
SCHEMBL3568042 0.84 HDAC1 (0.49) SMN1; SMN2MGLLALDH1A1TDP1KDM4E
SCHEMBL3573597 0.81 MGLL (0.48) LMNASMN1; SMN2MGLLALDH1A1GAA
SCHEMBL3573179 0.81 HDAC1 (0.47) WNT3AALDH1A1KDM4EMAPTHDAC1

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-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US 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 WNT3A 4473/4885LMNA 3991/4885SMN1; SMN2 1431/4885

“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.