SCHEMBL1368024

SCHEMBL1368024

O=C(c1cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2oc1=O)c1cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2oc1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.59
MAPT P10636 3/20 0.53
ALDH1A1 P00352 4/20 0.52
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
LMNA P02545 2/20 0.41
F12 P00748 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL1367303 0.91 GPR35 (0.59) GPR35MAPTALDH1A1MAOAMAOB
SCHEMBL1368002 0.88 GPR35 (0.48) GPR35MAPTALDH1A1MAOAMAOB
SCHEMBL1368991 0.87 GPR35 (0.55) GPR35MAPTALDH1A1MAOAMAOB
SCHEMBL1366199 0.84 GPR35 (0.82) GPR35MAPTALDH1A1MAOAMAOB
SCHEMBL1368742 0.84 GPR35 (0.54) GPR35MAPTALDH1A1MAOAMAOB
SCHEMBL1369613 0.81 MAPT (0.74) GPR35MAPTALDH1A1MAOAMAOB
SCHEMBL1367555 0.79 MAOA (0.54) GPR35ALDH1A1MAOAMAOBCA12
SCHEMBL830939 0.77 CA12 (0.47) GPR35MAPTALDH1A1CA12CA9
SCHEMBL1367165 0.76 MAPT (0.53) GPR35MAPTALDH1A1POLBMEN1
SCHEMBL1369655 0.75 MAOB (0.81) MAPTALDH1A1MAOAMAOBCA12

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-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 claimed
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 GPR35 4874/4885MAPT 4718/4885ALDH1A1 617/4885

“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.