SCHEMBL1366470

SCHEMBL1366470

COc1cc(OC)c2cc(C(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)c(=O)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR2 P34972 1/20 0.40
PKM P14618 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 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
SCHEMBL1367046 0.86 POLB (0.56) ALDH1A1MAOAMAOBCYP2C19GAA
SCHEMBL1368730 0.84 MAOB (0.54) ALDH1A1SMN1; SMN2LMNAHTTMAOA
SCHEMBL1369312 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL1367892 0.80 MEN1 (0.52) ALDH1A1LMNAHTTMAOAMAOB
SCHEMBL830302 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL1366516 0.77 MAOB (0.52) ALDH1A1LMNAMAOAMAOBCYP2C19
SCHEMBL29436270 0.73 ALDH1A1 (0.55) ALDH1A1LMNAHTTMAOAMAOB
SCHEMBL556704 0.73 ALDH1A1 (0.55) ALDH1A1LMNAHTTMAOAMAOB
SCHEMBL11261487 0.72 SLC16A3 (0.59) ALDH1A1LMNAMAOAMAOBGAA
SCHEMBL7019669 0.72 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAMAOAMAOB

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 4848/4885LMNA 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.