SCHEMBL1592847

SCHEMBL1592847

CCOc1ccccc1-n1c(CC)nc2cc([N+](=O)[O-])ccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
HIF1A Q16665 9/20 0.52
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
IDO2 Q6ZQW0 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL12703613 0.84 ALDH1A1 (0.50) ALDH1A1HIF1AGAAMAPTMAPK1
SCHEMBL1592824 0.84 L3MBTL1 (0.60) ALDH1A1L3MBTL1HIF1AMAPTSMN1; SMN2
SCHEMBL4465299 0.83 L3MBTL1 (0.79) ALDH1A1L3MBTL1HIF1ASMN1; SMN2LMNA
SCHEMBL4456445 0.78 HIF1A (0.51) ALDH1A1HIF1AGAAMAPTMAPK1
SCHEMBL1593382 0.76 VDAC2 (0.51) ALDH1A1HIF1AGAAMAPTMAPK1
SCHEMBL735062 0.76 ALDH1A1 (0.55) ALDH1A1HIF1AGAAMAPTKMT2A
SCHEMBL4507484 0.76 L3MBTL1 (0.61) ALDH1A1L3MBTL1HIF1ASMN1; SMN2LMNA
SCHEMBL8401465 0.75 ALDH1A1 (0.76) ALDH1A1L3MBTL1HIF1AGAAMAPT
SCHEMBL13789634 0.74 L3MBTL1 (0.58) ALDH1A1L3MBTL1HIF1ASMN1; SMN2IDO1
SCHEMBL14303441 0.74 HIF1A (0.68) ALDH1A1L3MBTL1HIF1ASMN1; SMN2KMT2A

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
US-8575143-B2 3-aryl-substituted quinazolones, and uses thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575143-B2 3-aryl-substituted quinazolones, and uses thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575143-B2 3-aryl-substituted quinazolones, and uses thereof PROLEXYS PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110092489-A1 3-Aryl-Substituted Quinazolones, and Uses Thereof Prolexys Pharmaceuticals ,Inc. (US) 2011-04-21 US disclosed
US-20110092489-A1 3-Aryl-Substituted Quinazolones, and Uses Thereof Prolexys Pharmaceuticals ,Inc. (US) 2011-04-21 US disclosed
US-20110092489-A1 3-Aryl-Substituted Quinazolones, and Uses Thereof Prolexys Pharmaceuticals ,Inc. (US) 2011-04-21 US disclosed
EP-1999116-A2 3-ARYL-SUBSTITUTED QUINAZOLONES, AND USES THEREOF Prolexys Pharmaceuticals, Inc. (US) 2008-12-10 EP disclosed
WO-2007076087-A2 3-ARYL-SUBSTITUTED QUINAZOLONES, AND USES THEREOF PROLEXYS PHARMACEUTICALS, INC. (US) 2007-07-05 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 (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-20110092489-A1 3-Aryl-Substituted Quinazolones, and Uses Thereof MKI67, MCL1, HCCS ALDH1A1 365/4885L3MBTL1 2892/4885HIF1A 1381/4885

“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.