SCHEMBL13744847

SCHEMBL13744847

Nc1cc(Cl)cc(Cl)c1C(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
HPGD P15428 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAOB P27338 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MMP13 P45452 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX1 P07099 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL13744675 0.87 AKR1B1 (0.53) HPGDCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4214266 0.86 CYP2C19 (0.53) CA2HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL13744671 0.82 HPGD (0.53) HPGDMEN1KMT2AALDH1A1
SCHEMBL13744662 0.82 TP53 (0.50) CA2HPGDCYP2C19MEN1KMT2A
SCHEMBL13744508 0.82 MEN1 (0.43) CA2HPGDCYP2C19MEN1KMT2A
SCHEMBL4223601 0.82 TP53 (0.50) HPGDCYP1A2CYP2C19KMT2AL3MBTL1
SCHEMBL4223833 0.82 TP53 (0.54) CA2HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL13744864 0.80 HSD17B10 (0.54) CA2HPGDCYP3A4KMT2AL3MBTL1
SCHEMBL13744520 0.79 TP53 (0.59) HPGDCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4071141 0.79 AKR1B1 (0.49) CA2MEN1KMT2A

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 2 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
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

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 CA2 4745/4885HPGD 1496/4885CYP1A2 228/4885

“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.