SCHEMBL1367892

SCHEMBL1367892

COc1ccc(CC(=O)c2cc3ccc(O)cc3oc2=O)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
HTT P42858 1/20 0.52
MIF P14174 4/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
AKR1B10 O60218 5/20 0.48
AKR1B1 P15121 5/20 0.48
MAOB P27338 2/20 0.47
PKM P14618 2/20 0.47
PFKFB3 Q16875 1/20 0.47
KDM4E B2RXH2 2/20 0.47
S1PR4 O95977 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
S1PR1 P21453 1/20 0.47
MAOA P21397 1/20 0.46
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.46
TLR9 Q9NR96 1/20 0.46

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
SCHEMBL1367046 0.90 POLB (0.56) KMT2AMAOBKDM4EGLAGAA
SCHEMBL1368727 0.81 ALDH1A1 (0.43) MEN1KMT2AHTTCTDSP1GAA
SCHEMBL1366470 0.80 ALDH1A1 (0.44) MEN1KMT2AHTTMAOBPKM
SCHEMBL1368349 0.80 MEN1 (0.69) MEN1KMT2AHTTMIFAKR1B10
SCHEMBL829263 0.80 ATM (0.45) MEN1KMT2AHTTMIFCTDSP1
SCHEMBL5256348 0.75 GAA (0.57) MEN1KMT2AHTTPKMGAA
SCHEMBL1366812 0.73 ALDH1A1 (0.47) MEN1KMT2AHTTGAANPC1
SCHEMBL1367697 0.73 MEN1 (0.45) MEN1KMT2AHTTKDM4EGAA
SCHEMBL1368421 0.72 ALDH1A1 (0.42) MEN1KMT2AHTTGAAMAPT
SCHEMBL1367545 0.72 GFER (0.45) MEN1KMT2AHTTKDM4EGAA

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 MEN1 1108/4885KMT2A 1726/4885HTT 3604/4885

“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.