SCHEMBL652224

SCHEMBL652224

CN(C)C(=O)CN(C)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.67
KCNH2 Q12809 2/20 0.66
HDAC2 Q92769 6/20 0.65
HDAC3 O15379 4/20 0.65
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64

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
SCHEMBL653854 0.90 HDAC1 (0.64) HDAC1KCNH2HDAC2HDAC3HDAC4
SCHEMBL14775870 0.84 HDAC1 (0.67) HDAC1KCNH2HDAC2
SCHEMBL14775869 0.83 HDAC1 (0.65) HDAC1KCNH2HDAC2HDAC3
SCHEMBL650650 0.82 HDAC1 (0.67) HDAC1KCNH2HDAC2HDAC3HDAC4
SCHEMBL1067120 0.82 HDAC1 (0.78) HDAC1KCNH2HDAC2HDAC3HDAC4
SCHEMBL2209850 0.82 HDAC1 (0.70) HDAC1KCNH2HDAC2HDAC3HDAC4
SCHEMBL30267926 0.81 HDAC1 (0.67) HDAC1KCNH2HDAC2HDAC3HDAC4
SCHEMBL17457480 0.81 HDAC1 (0.67) HDAC1KCNH2HDAC2HDAC3HDAC4
SCHEMBL17457481 0.81 HDAC1 (0.67) HDAC1KCNH2HDAC2HDAC3HDAC4
SCHEMBL1067597 0.81 HDAC1 (0.74) HDAC1KCNH2HDAC2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013196-B1 DISUBSTITUTED ANILINE COMPOUNDS MERCK SHARP & DOHME (US) 2015-09-16 EP claimed
US-8119685-B2 Disubstituted aniline compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US claimed
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 US claimed
EP-2013196-B1 DISUBSTITUTED ANILINE COMPOUNDS MERCK SHARP & DOHME (US) 2015-09-16 EP disclosed
EP-2013196-B1 DISUBSTITUTED ANILINE COMPOUNDS MERCK SHARP & DOHME (US) 2015-09-16 EP disclosed
US-8119685-B2 Disubstituted aniline compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8119685-B2 Disubstituted aniline compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8119685-B2 Disubstituted aniline compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 US disclosed
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 US disclosed
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 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-20090221669-A1 Disubstituted Aniline Compounds TXNRD2, BRDT, HDAC1 HDAC1 3/4885KCNH2 3060/4885HDAC2 14/4885

“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.