SCHEMBL1367046

SCHEMBL1367046

COc1ccc2cc(C(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)c(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
CYP2C19 P33261 1/20 0.56
MAOB P27338 6/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 3/20 0.53
HPGD P15428 3/20 0.53
SLC16A3 O15427 1/20 0.53
KDM4E B2RXH2 3/20 0.53
GLA P06280 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MAOA P21397 4/20 0.53
CA12 O43570 3/20 0.51
CA2 P00918 3/20 0.51
CA4 P22748 3/20 0.51
CA7 P43166 3/20 0.51
CA3 P07451 1/20 0.51
CA6 P23280 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
APP P05067 2/20 0.50

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
SCHEMBL1367892 0.90 MEN1 (0.52) POLBCYP2C19MAOBALDH1A1GAA
SCHEMBL1366470 0.86 ALDH1A1 (0.44) POLBCYP2C19MAOBALDH1A1GAA
SCHEMBL1367351 0.83 CYP2C19 (0.71) POLBCYP2C19MAOBALDH1A1GAA
SCHEMBL1366812 0.81 ALDH1A1 (0.47) POLBALDH1A1GAAKMT2ANPC1
SCHEMBL830580 0.78 CA12 (0.52) POLBMAOBALDH1A1GAAHPGD
SCHEMBL1366531 0.76 CYP2C19 (0.78) POLBCYP2C19MAOBALDH1A1GAA
SCHEMBL1368349 0.76 MEN1 (0.69) CYP2C19MAOBALDH1A1GAAHPGD
SCHEMBL23871953 0.75 CYP2C19 (0.81) POLBCYP2C19MAOBALDH1A1GAA
SCHEMBL4040483 0.74 ALDH1A1 (0.56) POLBCYP2C19MAOBALDH1A1GAA
SCHEMBL1367165 0.74 MAPT (0.53) POLBCYP2C19ALDH1A1HPGDKDM4E

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 POLB 2722/4885CYP2C19 606/4885MAOB 2929/4885

“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.