SCHEMBL651392

SCHEMBL651392

O=C(CN(CC(=O)Nc1ccccc1)c1ccc(C(=O)O)cc1)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
NOX1 Q9Y5S8 1/20 0.53
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
HPGD P15428 2/20 0.49
LTA4H P09960 3/20 0.48
MAPT P10636 2/20 0.47
EPHX2 P34913 1/20 0.47
POLB P06746 1/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL3836570 0.88 MEN1 (0.56) GAAALDH1A1RAB9AMEN1KMT2A
SCHEMBL651514 0.84 MEN1 (0.63) GAAALDH1A1RAB9AMEN1KMT2A
SCHEMBL13603928 0.83 KMT2A (0.57) GAAALDH1A1RAB9AMEN1KMT2A
SCHEMBL889852 0.83 MEN1 (0.51) GAAALDH1A1RAB9AMEN1KMT2A
SCHEMBL30451287 0.81 MEN1 (0.53) GAAALDH1A1RAB9AMEN1KMT2A
SCHEMBL13644980 0.81 CA1 (0.50) GAARAB9AMEN1KMT2ANPC1
SCHEMBL11913585 0.80 KDM1A (0.51) GAAALDH1A1RAB9AMEN1KMT2A
SCHEMBL13603934 0.80 RAB9A (0.51) GAAALDH1A1RAB9AMEN1KMT2A
SCHEMBL13645001 0.80 LMNA (0.52) GAARAB9AMEN1KMT2ANPC1
SCHEMBL4429676 0.79 HDAC1 (0.48) RAB9AMEN1KMT2ANPC1NOX1

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 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
EP-2013196-A2 DISUBSTITUTED ANILINE COMPOUNDS Merck & Co., Inc. (US) 2009-01-14 EP disclosed
WO-2007127137-A2 DISUBSTITUTED ANILINE COMPOUNDS MERCK & CO., INC. (US) 2007-11-08 WO 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 GAA 630/4885ALDH1A1 744/4885RAB9A 4477/4885

“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.