SCHEMBL4374729

SCHEMBL4374729

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.47
IP6K1 Q92551 3/20 0.45
PRSS1 P07477 4/20 0.36
CHEK1 O14757 2/20 0.36
PIM1 P11309 2/20 0.36
ALDH1A1 P00352 2/20 0.36
AKT1 P31749 1/20 0.36
FLT3 P36888 1/20 0.36
PIM3 Q86V86 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
SLC2A1 P11166 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL15928076 0.94 PARP1 (0.48) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL642058 0.85 PARP1 (0.47) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL24168199 0.85 PARP1 (0.44) PARP1IP6K1CHEK1PIM1RPS6KA3
SCHEMBL300019 0.84 PARP1 (0.46) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL24168319 0.84 PARP1 (0.50) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL24167307 0.83 KDM4E (0.46) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL24167407 0.82 IP6K1 (0.43) PARP1IP6K1
SCHEMBL157879 0.81 PARP1 (0.52) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL29365309 0.81 PARP1 (0.52) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL24167710 0.81 ALDH1A1 (0.47) PARP1IP6K1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014117698-A1 TRICYCLIC DERIVATIVE CONTAINING QUINAZOLINE STRUCTURE, PREPARATION METHOD AND USE THEREOF 江苏奥赛康药业股份有限公司 (CN) 2014-08-07 WO disclosed
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 2906/4885PRSS1 1196/4885

“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.