SCHEMBL4371995

SCHEMBL4371995

O=c1nc[nH]c2cc(O)c([N+](=O)[O-])cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
NAMPT P43490 1/20 0.40
XDH P47989 1/20 0.40
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
ALDH1A1 P00352 3/20 0.37
GPR35 Q9HC97 2/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PARP1 P09874 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12488897 0.83 CYP3A4 (0.41) CYP3A4NAMPTXDHALDH1A1HPGD
SCHEMBL7807548 0.82 CYP3A4 (0.40) CYP3A4NAMPTXDHALDH1A1HPGD
SCHEMBL29693636 0.82 CYP3A4 (0.40) CYP3A4NAMPTXDHALDH1A1HPGD
SCHEMBL1507518 0.82 CA12 (0.48) CYP3A4NAMPTXDHCA12CA9
SCHEMBL4565100 0.80 BCL2 (0.44) ALDH1A1GPR35HPGDSMN1; SMN2MEN1
SCHEMBL11491570 0.79 MEN1 (0.46) CYP3A4NAMPTXDHALDH1A1HPGD
SCHEMBL16637208 0.79 CYP3A4 (0.40) CYP3A4NAMPTXDHALDH1A1HPGD
SCHEMBL2988913 0.79 CA12 (0.42) CYP3A4NAMPTXDHCA12CA9
Bromide SCHEMBL2051879 0.79 BCL2 (0.43) ALDH1A1GPR35HPGDSMN1; SMN2MEN1
SCHEMBL4374725 0.76 PRSS1 (0.36) CYP3A4NAMPTXDHCA2ALDH1A1

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-8367824-B2 Reacting anthranilic acid with formic acid compound in presence of a catalyst and solvent UBE INDUSTRIES LTD. (JP) 2013-02-05 US disclosed
EP-1477481-B1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE UBE INDUSTRIES (JP) 2009-07-22 EP disclosed
US-20050080262-A1 Process for producing quinazolin-4-one derivative UBE INDUSTRIES, LTD. (JP) 2005-04-14 US disclosed
EP-1477481-A1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE Ube Industries, Ltd. (JP) 2004-11-17 EP 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-20050080262-A1 Process for producing quinazolin-4-one derivative NQO2, SDHA, CYP3A4 CYP3A4 3/4885NAMPT 1038/4885XDH 87/4885

“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.