SCHEMBL611920

SCHEMBL611920

O=C(O)c1cc([N+](=O)[O-])c(Cl)cc1Cl.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 1/20 0.51
VCAM1 P19320 2/20 0.47
TSHR P16473 3/20 0.46
DTYMK P23919 1/20 0.45
SLC25A1 P53007 1/20 0.45
MAPK1 P28482 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 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
SCHEMBL613001 0.98 ALDH1A1 (0.53) ALDH1A1CYP3A4VCAM1TSHRDTYMK
Hydrochloric Acid SCHEMBL11773238 0.96 ALDH1A1 (0.51) ALDH1A1CYP3A4VCAM1TSHRDTYMK
SCHEMBL8744103 0.95 ALDH1A1 (0.50) ALDH1A1CYP3A4VCAM1TSHRDTYMK
SCHEMBL7749601 0.91 ALDH1A1 (0.53) ALDH1A1CYP3A4VCAM1TSHRDTYMK
SCHEMBL1790306 0.89 TSHR (0.49) ALDH1A1CYP3A4VCAM1TSHRDTYMK
SCHEMBL2894347 0.87 DTYMK (0.50) ALDH1A1CYP3A4VCAM1TSHRDTYMK
SCHEMBL1787500 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4VCAM1TSHRDTYMK
SCHEMBL27639571 0.84 ALDH1A1 (0.54) ALDH1A1CYP3A4VCAM1TSHRDTYMK
SCHEMBL10562304 0.83 VCAM1 (0.49) ALDH1A1CYP3A4VCAM1TSHRMAPK1
SCHEMBL29596737 0.83 DTYMK (0.50) ALDH1A1CYP3A4VCAM1TSHRDTYMK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379510-B1 QUINAZOLINONE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2016-10-26 EP disclosed
US-20150359796-A1 QUINAZOLINONE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2015-12-17 US disclosed
US-9145375-B2 Quinazolinone compounds PRANA BIOTECHNOLOGY LIMITED (AU) 2015-09-29 US disclosed
US-20150025072-A1 QUINAZOLINONE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2015-01-22 US disclosed
US-8889695-B2 Quinazolinone compounds PRANA BIOTECHNOLOGY LIMITED (AU) 2014-11-18 US disclosed
US-20120040980-A1 QUINAZOLINONE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2012-02-16 US disclosed
EP-2379510-A1 QUINAZOLINONE COMPOUNDS Prana Biotechnology Ltd (AU) 2011-10-26 EP disclosed
WO-2010071944-A1 QUINAZOLINONE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-07-01 WO 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 (3 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-20150359796-A1 QUINAZOLINONE COMPOUNDS PARK7, SNCA, NDUFV2 ALDH1A1 866/4885CYP3A4 253/4885VCAM1 4362/4885
US-20150025072-A1 QUINAZOLINONE COMPOUNDS PARK7, SNCA, NQO2 ALDH1A1 937/4885CYP3A4 234/4885VCAM1 4417/4885
US-20120040980-A1 QUINAZOLINONE COMPOUNDS PARK7, SNCA, NQO2 ALDH1A1 937/4885CYP3A4 234/4885VCAM1 4417/4885

“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.