SCHEMBL650252

SCHEMBL650252

COC(=O)c1ccc(N(CCN(C)C)C(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
NOTUM Q6P988 1/20 0.48
MAPT P10636 4/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
RAB9A P51151 2/20 0.43

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
SCHEMBL3692845 0.83 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL29265674 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL652110 0.82 KMT2A (0.45) ALDH1A1TSHRSMN1; SMN2NPC1CA2
SCHEMBL64028 0.81 NOTUM (0.49) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL7831241 0.81 TSPO (0.49) ALDH1A1TSHRSMN1; SMN2NPC1GAA
SCHEMBL7830726 0.78 MEN1 (0.45) ALDH1A1TSHRSMN1; SMN2RAB9AMEN1
SCHEMBL8137983 0.77 TSHR (0.53) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL15180119 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL2276155 0.77 MMP2 (0.45) ALDH1A1TSHRGAATDP1RAB9A
SCHEMBL3142097 0.77 PHLPP2 (0.46) ALDH1A1TSHRSMN1; SMN2MAPK1TDP1

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 8 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
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 ALDH1A1 744/4885KDM4E 500/4885TSHR 1759/4885

“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.