SCHEMBL1368151

SCHEMBL1368151

O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2c(Br)cc(Br)cc2[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.38
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
VCAM1 P19320 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MEN1 O00255 1/20 0.35
APOBEC3A P31941 1/20 0.35
KMT2A Q03164 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL1369070 0.85 ALDH1A1 (0.41) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL1367049 0.83 GAA (0.37) KDM4EALDH1A1POLBMGAMGAA
SCHEMBL1369126 0.82 PIK3CA (0.41) GAAMEN1KMT2A
SCHEMBL1370309 0.80 VCAM1 (0.36) ABL1BCRVCAM1AKR1B10AKR1B1
SCHEMBL1368190 0.79 MAPT (0.42) FASNVCAM1AKR1B10AKR1B1GAA
SCHEMBL1366882 0.78 DAO (0.42) VCAM1AKR1B10AKR1B1KDM4EALDH1A1
SCHEMBL830948 0.78 VCAM1 (0.40) FASNVCAM1KDM4EALDH1A1POLB
SCHEMBL1367610 0.75 GAA (0.47) ALDH1A1MGAMGAASIMGAM2
SCHEMBL1368447 0.75 ALDH1A1 (0.45) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL1367879 0.72 GRIN1 (0.36) MEN1KMT2A

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 FASN 821/4885ABL1 173/4885BCR 187/4885

“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.