SCHEMBL1368679

SCHEMBL1368679

O=C(c1cc2cc([N+](=O)[O-])ccc2[nH]c1=O)c1cc2cc([N+](=O)[O-])ccc2[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.57
GRIA2 P42262 1/20 0.57
GRIA3 P42263 1/20 0.57
GRIA4 P48058 1/20 0.57
CYP19A1 P11511 2/20 0.51
PARP1 P09874 2/20 0.49
HRH4 Q9H3N8 1/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
NOS1 P29475 1/20 0.45
FASN P49327 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
SCHEMBL11140389 0.90 ALDH1A1 (0.56) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL30881362 0.81 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL27015077 0.80 F12 (0.49) GRIA1GRIA2GRIA3GRIA4POLB
SCHEMBL27885276 0.80 HRH4 (0.61) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL24207597 0.78 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL14722450 0.78 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL20267527 0.78 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL29533215 0.78 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL3598675 0.78 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL31154578 0.76 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4CYP19A1

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 GRIA1 4741/4885GRIA2 4802/4885GRIA3 4613/4885

“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.