SCHEMBL1368968

SCHEMBL1368968

COc1cc([N+](=O)[O-])cc2cc(C(=O)c3cc4cc([N+](=O)[O-])cc(OC)c4sc3=O)c(=O)sc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.44
PKM P14618 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 2/20 0.41
ERN1 O75460 1/20 0.41
HTT P42858 2/20 0.39
MEN1 O00255 3/20 0.39
MAOB P27338 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL1367177 0.81 ALDH1A1 (0.41) MAPTALDH1A1KMT2ANPSR1LMNA
SCHEMBL829572 0.80 HTT (0.40) MAPTALDH1A1KMT2APKMNPSR1
SCHEMBL1371071 0.80 ALDH1A1 (0.37) MAPTALDH1A1KMT2APKMLMNA
SCHEMBL1366305 0.78 PIM1 (0.43) MAPTALDH1A1KMT2ANPSR1ERN1
SCHEMBL1368857 0.74 MAPT (0.46) MAPTALDH1A1KMT2APKMLMNA
SCHEMBL1369613 0.74 MAPT (0.74) MAPTALDH1A1KMT2AMEN1MAOB
SCHEMBL1369275 0.71 POLB (0.52) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL1369287 0.70 ALDH1A1 (0.39) MAPTALDH1A1KMT2ANPSR1LMNA
SCHEMBL1366648 0.70 MAPT (0.42) MAPTALDH1A1KMT2APKMLMNA
SCHEMBL23612381 0.69 HTT (0.49) MAPTALDH1A1KMT2APKMLMNA

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 MAPT 4718/4885ALDH1A1 617/4885KMT2A 1726/4885

“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.