SCHEMBL1367545

SCHEMBL1367545

COc1ccc(CC(=O)c2cc3ccccc3[nH]c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 12/20 0.44
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PADI4 Q9UM07 1/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1367629 0.87 ALDH1A1 (0.42) GFERMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1368190 0.84 MAPT (0.42) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL1369070 0.81 ALDH1A1 (0.41) GFERMEN1KMT2AALDH1A1POLB
SCHEMBL1367697 0.80 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL1368970 0.79 ALDH1A1 (0.65) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL830990 0.78 GFER (0.45) GFERMEN1KMT2AALDH1A1POLB
SCHEMBL20521709 0.77 ALDH1A1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9582566 0.73 HTT (0.59) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1366882 0.73 DAO (0.42) ALDH1A1KDM4EPOLBHPGDCYP3A4
SCHEMBL1367652 0.73 IDO1 (0.52) MEN1KMT2AALDH1A1KDM4EHSD17B10

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
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US claimed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 WO claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US disclosed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS GFER 2080/4885MEN1 1108/4885KMT2A 1726/4885

“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.