SCHEMBL4349482

SCHEMBL4349482

COc1ccc(CC(=O)c2cc3c(Br)cc(Br)cc3sc2=O)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 13/20 0.41
LMNA P02545 4/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
PKM P14618 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
SCHEMBL1370309 0.85 VCAM1 (0.36) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL1369312 0.85 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL1367697 0.81 MEN1 (0.45) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL1369070 0.81 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL1366877 0.81 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNAHTTMEN1
SCHEMBL1366812 0.80 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL1368727 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL829796 0.79 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL1368421 0.79 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL1367352 0.75 PIK3CA (0.41) SMN1; SMN2LMNAGAAHTTMEN1

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 2 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

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 SMN1; SMN2 4848/4885ALDH1A1 617/4885LMNA 1399/4885

“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.