SCHEMBL4374725

SCHEMBL4374725

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
CHEK1 O14757 2/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
HTT P42858 1/20 0.34
XDH P47989 2/20 0.33
CYP3A4 P08684 1/20 0.33
NAMPT P43490 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
RECQL P46063 1/20 0.33
NQO2 P16083 1/20 0.32

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
SCHEMBL30820428 0.85 ALDH1A1 (0.37) ALDH1A1MAPTCHEK1NPC1RAB9A
SCHEMBL4374729 0.81 PARP1 (0.47) PRSS1ALDH1A1MAPTCHEK1
SCHEMBL4297391 0.79 PRKAB2 (0.42) ALDH1A1CHEK1SMN1; SMN2POLBMAPK1
SCHEMBL30477174 0.78 CYP1A2 (0.47) ALDH1A1MAPTCHEK1NPC1RAB9A
SCHEMBL4371995 0.76 CYP3A4 (0.40) ALDH1A1MAPTNPC1RAB9AHTT
SCHEMBL12488897 0.74 CYP3A4 (0.41) ALDH1A1MAPTHTTXDHCYP3A4
SCHEMBL15928076 0.74 PARP1 (0.48) ALDH1A1CHEK1
SCHEMBL1507518 0.73 CA12 (0.48) MAPTXDHCYP3A4NAMPTPOLB
SCHEMBL29693636 0.73 CYP3A4 (0.40) ALDH1A1MAPTXDHCYP3A4NAMPT
SCHEMBL7807548 0.73 CYP3A4 (0.40) ALDH1A1MAPTXDHCYP3A4NAMPT

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 PRSS1 1196/4885ALDH1A1 477/4885MAPT 4602/4885

“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.