SCHEMBL1371069

SCHEMBL1371069

O=C(Sc1cc2cc([N+](=O)[O-])cc(Br)c2oc1=O)c1cc2cc([N+](=O)[O-])cc(Br)c2sc1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.40
GPR35 Q9HC97 4/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MAOA P21397 5/20 0.34
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
F12 P00748 3/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL1371071 0.77 ALDH1A1 (0.37) MAOBGPR35MAPTALDH1A1MAOA
SCHEMBL1368742 0.74 GPR35 (0.54) MAOBGPR35MAPTALDH1A1MAOA
SCHEMBL1368141 0.73 MAOA (0.40) MAOBGPR35MAPTALDH1A1MAOA
SCHEMBL4727685 0.67 PIM1 (0.44) MAOBGPR35MAPTALDH1A1MAOA
Potassium Ion SCHEMBL5985831 0.66 ALDH1A1 (0.38) MAOBGPR35MAPTALDH1A1MAOA
SCHEMBL28352404 0.65 LMNA (0.44) MAOBMAPTALDH1A1MAOAPOLB
SCHEMBL31573253 0.64 GPR35 (0.40) GPR35MAPTALDH1A1POLBHPGD
SCHEMBL1367177 0.63 ALDH1A1 (0.41) MAOBGPR35MAPTALDH1A1MAOA
SCHEMBL4727973 0.63 MAPT (0.53) MAOBMAPTALDH1A1
SCHEMBL1368968 0.62 MAPT (0.46) MAOBMAPTALDH1A1

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 MAOB 2929/4885GPR35 4874/4885MAPT 4718/4885

“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.