SCHEMBL1368535

SCHEMBL1368535

COc1ccc(CC(=O)c2cc3ccc(Cl)cc3[nH]c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TSHR P16473 1/20 0.51
PDGFRB P09619 1/20 0.50
FLT3 P36888 1/20 0.50
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
DAO P14920 1/20 0.46
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
PADI4 Q9UM07 1/20 0.45

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
SCHEMBL1369068 0.89 DAO (0.54) MEN1KMT2AHPGDNPC1CYP3A4
SCHEMBL1368970 0.84 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL1367629 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL1368142 0.80 PADI4 (0.57) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL1368149 0.80 PADI4 (0.57) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL1368309 0.80 PADI4 (0.57) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL1367456 0.79 DAO (0.46) TSHRDAOTP53
SCHEMBL1849729 0.79 RAB9A (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL1369702 0.78 DAO (0.59) DAO
SCHEMBL1367652 0.78 IDO1 (0.52) ALDH1A1KDM4EMEN1KMT2ATSHR

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 ALDH1A1 617/4885KDM4E 2293/4885MEN1 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.