SCHEMBL4075769

SCHEMBL4075769

NC(=O)Nc1cccc(C(=O)O)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.53
CASP7 P55210 1/20 0.53
CASP6 P55212 1/20 0.53
KDM4E B2RXH2 3/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CDC25B P30305 1/20 0.49
KMT2A Q03164 4/20 0.49
FABP4 P15090 2/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 1/20 0.47
CTSK P43235 1/20 0.47
ALDH1A1 P00352 2/20 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
SCHEMBL11684781 0.84 MEN1 (0.66) KDM4ENPC1CASP3RAB9ASENP8
SCHEMBL6326283 0.84 KMT2A (0.62) KDM4ENPC1RAB9AKMT2AFABP4
SCHEMBL7859941 0.84 POLB (0.54) G6PDCASP7CASP6KDM4ENPC1
SCHEMBL29053577 0.81 KDM4E (0.50) KDM4EGAANPC1CASP3RAB9A
SCHEMBL1939854 0.81 FABP4 (0.68) G6PDCASP7CASP6KDM4EGAA
SCHEMBL20821022 0.80 PDK1 (0.49) G6PDCASP7CASP6KDM4ENPC1
SCHEMBL11727177 0.79 DHODH (0.67) NPC1RAB9AKMT2AFABP4MEN1
SCHEMBL16176968 0.79 G6PD (0.55) G6PDCASP7CASP6KDM4ENPC1
SCHEMBL1467305 0.79 FABP4 (0.56) KDM4EGAANPC1CASP3RAB9A
SCHEMBL6206535 0.79 GAA (0.55) KDM4EGAANPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203708-A1 NOVEL SUBSTITUTED-1-H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-08-13 US disclosed
EP-2035406-A4 NOVEL SUBSTITUTED-1H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2009-08-05 EP disclosed
EP-2035406-A1 NOVEL SUBSTITUTED-1H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Korea Research Institute of Chemical Technology (KR) 2009-03-18 EP disclosed
WO-2008004716-A1 NOVEL SUBSTITUTED-1H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-01-10 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-20090203708-A1 NOVEL SUBSTITUTED-1-H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HTR5A, HTR3B, HTR1A G6PD 2711/4885CASP7 3479/4885CASP6 3285/4885

“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.