SCHEMBL3560359

SCHEMBL3560359

Nc1ccccc1NC(=O)c1cc2ccc(NC(=O)CN3CCN(c4ccccc4)CC3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
REV1 Q9UBZ9 1/20 0.48
HDAC1 Q13547 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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 0.90 HDAC1 (0.49) SMN1; SMN2HDAC1POLBHDAC2ALDH1A1
SCHEMBL3576103 0.89 POLB (0.53) SMN1; SMN2CA1CA2CA7MEN1
SCHEMBL3574758 0.89 WNT3A (0.51) SMN1; SMN2MAPTLMNAHDAC1L3MBTL1
SCHEMBL3576784 0.89 MGLL (0.48) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL1882719 0.88 HDAC1 (0.62) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL3566111 0.87 HDAC1 (0.47) MAPTHDAC1HDAC3HDAC2
SCHEMBL3568042 0.82 HDAC1 (0.49) SMN1; SMN2HDAC1POLBHDAC2ALDH1A1
SCHEMBL3575393 0.82 WNT3A (0.51) SMN1; SMN2MAPTLMNAHDAC1L3MBTL1
SCHEMBL3573597 0.82 MGLL (0.48) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL3573179 0.80 HDAC1 (0.47) MAPTHDAC1HDAC3HDAC2ALDH1A1

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 SMN1; SMN2 1431/4885CA12 1332/4885CA1 254/4885

“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.