SCHEMBL1369655

SCHEMBL1369655

O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.81
MAOA P21397 3/20 0.81
POLB P06746 2/20 0.79
CA12 O43570 2/20 0.79
CA9 Q16790 2/20 0.79
F12 P00748 1/20 0.67
RAB9A P51151 2/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 2/20 0.65
KDM4E B2RXH2 1/20 0.65
NPC1 O15118 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
PKM P14618 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58

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
SCHEMBL5717527 0.90 MAOB (1.00) MAOBMAOAPOLBCA12CA9
SCHEMBL2036575 0.89 MAOB (0.74) MAOBMAOAPOLBCA12CA9
SCHEMBL31206250 0.88 MAOB (0.77) MAOBMAOAPOLBCA12CA9
SCHEMBL11481128 0.88 MAOB (0.77) MAOBMAOAPOLBCA12CA9
SCHEMBL5190662 0.88 POLB (1.00) MAOBMAOAPOLBCA12CA9
SCHEMBL27951961 0.85 CA12 (0.74) MAOBMAOAPOLBCA12CA9
SCHEMBL28015505 0.84 PPARG (0.68) MAOBMAOAPOLBCA12CA9
SCHEMBL11473080 0.84 F12 (0.88) MAOBMAOAPOLBCA12CA9
Propene SCHEMBL27951962 0.83 MAOB (0.85) MAOBMAOAPOLBCA12CA9
SCHEMBL7672880 0.82 CA12 (0.69) MAOBMAOAPOLBCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOB 2929/4885MAOA 3570/4885POLB 2722/4885

“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.