SCHEMBL3981200

SCHEMBL3981200

CC(=O)Nc1ccc(CC(=O)O)c(NC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 3/20 0.45
PABPC1 P11940 1/20 0.45
GAA P10253 1/20 0.45
GRIK1 P39086 1/20 0.45
NR1H4 Q96RI1 2/20 0.45
ALDH1A1 P00352 2/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GLA P06280 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44

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
SCHEMBL10814976 0.83 NR1H4 (0.62) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL9110493 0.83 HTT (0.47) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL9110481 0.83 CYP1A2 (0.47) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL9038242 0.82 MYC (0.52) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL18622117 0.81 ALDH1A1 (0.49) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL28627643 0.80 EGFR (0.57) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2442089 0.80 HSD17B10 (0.56) MAPTKDM4EGAAALDH1A1HTT
SCHEMBL11201221 0.79 ALDH1A1 (0.43) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2337737 0.79 POLB (0.49) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL3054871 0.77 NR1H4 (0.59) NR1H4ALDH1A1POLBBRD4NR1I3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL KMT2A 2893/4885MEN1 2857/4885MAPT 3897/4885

“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.