SCHEMBL651514

SCHEMBL651514

COC(=O)c1ccc(N(CC(=O)Nc2ccccc2)CC(=O)Nc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
RAB9A P51151 5/20 0.63
MAPT P10636 5/20 0.63
ALDH1A1 P00352 3/20 0.63
LMNA P02545 2/20 0.63
KDM4E B2RXH2 3/20 0.62
NPC1 O15118 3/20 0.61
POLB P06746 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
TSHR P16473 1/20 0.51
NOX1 Q9Y5S8 1/20 0.51
PTPN1 P18031 1/20 0.51

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
SCHEMBL651392 0.84 GAA (0.54) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL3836570 0.82 MEN1 (0.56) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL13603950 0.82 MEN1 (0.50) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL13603928 0.81 KMT2A (0.57) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL653865 0.81 TSHR (0.52) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL13603912 0.80 ALDH1A1 (0.56) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL15005160 0.79 ALDH1A1 (0.55) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL7137750 0.78 MEN1 (0.72) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL889852 0.78 MEN1 (0.51) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL8495054 0.78 MEN1 (0.67) MEN1KMT2ARAB9AMAPTALDH1A1

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 MEN1 2929/4885KMT2A 336/4885RAB9A 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.