SCHEMBL1593382

SCHEMBL1593382

CCOc1ccccc1-n1c(C(C)N2CCCN(C)CC2)nc2cc([N+](=O)[O-])ccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDAC2 P45880 1/20 0.51
SLC7A11 Q9UPY5 1/20 0.51
HIF1A Q16665 8/20 0.48
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
HTR7 P34969 4/20 0.39
HTR1A P08908 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4456445 0.88 HIF1A (0.51) VDAC2SLC7A11HIF1AALDH1A1KMT2A
SCHEMBL12703618 0.88 VDAC2 (0.53) VDAC2SLC7A11HIF1AHTR7HTR1A
SCHEMBL12703613 0.84 ALDH1A1 (0.50) VDAC2SLC7A11HIF1AALDH1A1KMT2A
SCHEMBL12610101 0.84 VDAC2 (0.68) VDAC2SLC7A11HIF1AALDH1A1MAPT
SCHEMBL4457976 0.82 HIF1A (0.51) VDAC2SLC7A11HIF1AALDH1A1KMT2A
SCHEMBL4459138 0.81 SLC7A11 (0.80) VDAC2SLC7A11ALDH1A1KMT2AMAPK1
SCHEMBL13633741 0.80 VDAC2 (0.63) VDAC2SLC7A11HIF1AALDH1A1SMN1; SMN2
SCHEMBL13633615 0.79 VDAC2 (0.63) VDAC2SLC7A11HIF1AALDH1A1KMT2A
SCHEMBL27256134 0.78 VDAC2 (0.65) VDAC2SLC7A11HIF1AALDH1A1MAPT
SCHEMBL13633665 0.77 VDAC2 (0.59) VDAC2SLC7A11HIF1AALDH1A1KMT2A

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 6 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

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 VDAC2 3317/4885SLC7A11 3069/4885HIF1A 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.