SCHEMBL1368447

SCHEMBL1368447

COc1ccc(CC(=O)c2cc3c(Br)cc(Br)cc3[nH]c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP3A4 P08684 1/20 0.45
ATM Q13315 1/20 0.45
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL1369126 0.85 PIK3CA (0.41) SMN1; SMN2MEN1KMT2AHPGDNPC1
SCHEMBL1369070 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL1367881 0.80 GSK3B (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1367880 0.80 GSK3B (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1367049 0.78 GAA (0.37) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL1367991 0.78 PADI4 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1366080 0.78 PADI4 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1366081 0.78 PADI4 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1367879 0.77 GRIN1 (0.36) MEN1KMT2A
SCHEMBL1366877 0.77 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD

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 4 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

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 ALDH1A1 617/4885SMN1; SMN2 4848/4885MEN1 1108/4885

“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.