SCHEMBL4371996

SCHEMBL4371996

O=c1[nH]cnc2cc(O)c([N+](=O)[O-])cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.56
IP6K1 Q92551 4/20 0.52
CHEK1 O14757 2/20 0.43
PIM1 P11309 2/20 0.43
ALDH1A1 P00352 1/20 0.43
BCL2 P10415 1/20 0.43
MCL1 Q07820 1/20 0.43
AKT1 P31749 1/20 0.43
FLT3 P36888 1/20 0.43
PIM3 Q86V86 1/20 0.43
RPS6KA3 P51812 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
SLC2A1 P11166 1/20 0.42
PDPK1 O15530 1/20 0.40
CA12 O43570 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA9 Q16790 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL27748904 0.87 PARP1 (0.62) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL25844 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL29625101 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL3246439 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL5431530 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL29362742 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL7222755 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL642645 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL30113150 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL164053 0.80 PARP1 (0.62) PARP1IP6K1CHEK1PIM1ALDH1A1

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 PARP1 712/4885IP6K1 2906/4885CHEK1 1270/4885

“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.