SCHEMBL1367697

SCHEMBL1367697

COc1ccc(CC(=O)c2cc3ccccc3sc2=O)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 12/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 5/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL1368727 0.88 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1366812 0.88 ALDH1A1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1368421 0.87 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1368543 0.84 CA12 (0.47) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL1369312 0.83 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4349482 0.81 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1367545 0.80 GFER (0.45) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1366631 0.79 USP2 (0.56) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL830873 0.78 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL20521709 0.77 ALDH1A1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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 3 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 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 MEN1 1108/4885KMT2A 1726/4885ALDH1A1 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.