SCHEMBL3576103

SCHEMBL3576103

Nc1ccccc1NC(=O)c1cc2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
HDAC1 Q13547 5/20 0.52
ALDH1A1 P00352 6/20 0.52
ATM Q13315 1/20 0.51
HDAC2 Q92769 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL3576763 0.90 HDAC1 (0.49) POLBHDAC1ALDH1A1HDAC2SMN1; SMN2
SCHEMBL3560359 0.89 SMN1; SMN2 (0.53) POLBHDAC1ALDH1A1ATMHDAC2
SCHEMBL3576784 0.89 MGLL (0.48) HDAC1ALDH1A1HDAC2MEN1KMT2A
SCHEMBL3574758 0.87 WNT3A (0.51) HDAC1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL3566111 0.87 HDAC1 (0.47) HDAC1HDAC2HDAC3MAPT
SCHEMBL3571276 0.84 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3571135 0.82 HDAC1 (0.57) HDAC1ALDH1A1HDAC2GAAMAPT
SCHEMBL3568042 0.82 HDAC1 (0.49) POLBHDAC1ALDH1A1HDAC2SMN1; SMN2
SCHEMBL3573597 0.82 MGLL (0.48) HDAC1ALDH1A1HDAC2MEN1KMT2A
SCHEMBL3576073 0.81 HDAC1 (0.58) HDAC1HDAC2

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 3 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
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 POLB 3812/4885HDAC1 4/4885ALDH1A1 914/4885

“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.