SCHEMBL649708

SCHEMBL649708

Nc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.69
HDAC3 O15379 10/20 0.69
HDAC2 Q92769 10/20 0.69
NCOR2 Q9Y618 3/20 0.69
MAPK1 P28482 1/20 0.63
HDAC4 P56524 4/20 0.58
HDAC7 Q8WUI4 4/20 0.58
HDAC10 Q969S8 4/20 0.58
HDAC11 Q96DB2 4/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
HDAC9 Q9UKV0 4/20 0.58
HDAC5 Q9UQL6 4/20 0.58
AKT1 P31749 1/20 0.55
PTGS1 P23219 1/20 0.55

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
SCHEMBL22798202 0.85 HDAC1 (0.70) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL653999 0.82 HDAC1 (0.70) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL1062296 0.81 HDAC1 (0.55) HDAC1HDAC3HDAC2NCOR2HDAC4
SCHEMBL28469673 0.81 EGFR (0.69) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL12684742 0.81 HDAC1 (0.76) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL8401704 0.81 HDAC1 (0.89) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL4463540 0.79 HDAC1 (0.66) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL2410081 0.79 HDAC1 (0.78) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL4258366 0.79 HDAC1 (0.75) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL407834 0.79 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR2MAPK1

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 9 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 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
WO-2007127137-A2 DISUBSTITUTED ANILINE COMPOUNDS MERCK & CO., INC. (US) 2007-11-08 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-20090221669-A1 Disubstituted Aniline Compounds TXNRD2, BRDT, HDAC1 HDAC1 3/4885HDAC3 16/4885HDAC2 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.