SCHEMBL1365752

SCHEMBL1365752

COc1ccc(Br)c2cc(C(=O)c3cc4c(Br)ccc(OC)c4sc3=O)c(=O)sc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
CASP3 P42574 1/20 0.38
PPP1CA P62136 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL829923 0.77 CA2 (0.38) ALDH1A1MAPTKDM4ETSHRF2RL3
SCHEMBL1366305 0.75 PIM1 (0.43) ALDH1A1HPGDCYP1A2CYP2C19LCK
SCHEMBL1367085 0.71 KDM4E (0.46) ALDH1A1HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL1368772 0.71 CA12 (0.47) ALDH1A1HPGDMAPTKMT2AF2RL3
SCHEMBL1368852 0.71 HDAC3 (0.57) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL2170429 0.69 PDE4B (0.50) ALDH1A1HPGDMAPTKDM4ETSHR
SCHEMBL1367964 0.66 GPR35 (0.41) ALDH1A1HPGDCYP1A2CYP2C19KMT2A
SCHEMBL26364951 0.64 CNR2 (0.46) ALDH1A1HPGDKMT2AHSD17B10NPC1
SCHEMBL4416895 0.64 KDM4E (0.46) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL23178936 0.64 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2CYP2C19CYP2D6

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
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 617/4885HPGD 819/4885CYP1A2 272/4885

“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.