SCHEMBL4376591

SCHEMBL4376591

COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCCCl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 2/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4374707 0.95 LMNA (0.50) LMNAPOLBHTTNPC1CYP3A4
SCHEMBL4377808 0.95 LMNA (0.50) LMNAPOLBHTTNPC1CYP3A4
SCHEMBL3325751 0.95 LMNA (0.50) LMNAPOLBHTTNPC1CYP3A4
SCHEMBL12480167 0.91 LMNA (0.43) LMNAPOLBHTTNPC1CYP3A4
SCHEMBL2150376 0.91 HTT (0.53) LMNAPOLBHTTNPC1CYP3A4
SCHEMBL29620246 0.89 HTT (0.52) LMNAPOLBHTTNPC1CYP3A4
SCHEMBL2468068 0.89 HTT (0.52) LMNAPOLBHTTNPC1CYP3A4
SCHEMBL1012564 0.88 POLB (0.52) LMNAPOLBHTTNPC1CYP3A4
SCHEMBL1012714 0.88 POLB (0.52) LMNAPOLBHTTNPC1CYP3A4
SCHEMBL875229 0.88 POLB (0.54) LMNAPOLBHTTNPC1CYP3A4

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 LMNA 3978/4885POLB 2511/4885HTT 2538/4885

“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.