SCHEMBL1573422

SCHEMBL1573422

COc1ccc(-c2c(-c3ccccc3)[nH]c(=O)[nH]c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
PLA2G10 O15496 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TYMP P19971 3/20 0.49
PTGS2 P35354 1/20 0.48
PTGS1 P23219 1/20 0.47
GSK3B P49841 1/20 0.47
BACE1 P56817 1/20 0.46
NPC1 O15118 1/20 0.46
TNKS O95271 1/20 0.46
GUSB P08236 1/20 0.46
PARP1 P09874 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46

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
SCHEMBL7093922 0.85 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10PTGS2
SCHEMBL1572915 0.85 ALDH1A1 (0.68) KDM4EPLA2G10ALDH1A1GAAHPGD
SCHEMBL1573105 0.83 KDM4E (0.55) KDM4EPLA2G10ALDH1A1GAAHPGD
SCHEMBL8441892 0.80 KDM4E (0.52) KDM4EPLA2G10ALDH1A1GAAHPGD
SCHEMBL1573566 0.80 TYMP (0.62) KDM4EPLA2G10ALDH1A1GAAHPGD
SCHEMBL1573392 0.80 TYMP (0.62) KDM4EPLA2G10ALDH1A1GAAHPGD
SCHEMBL1573106 0.79 PTGS2 (0.50) KDM4EPLA2G10ALDH1A1GAAHPGD
SCHEMBL3786153 0.78 ALDH1A1 (0.56) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL29639239 0.77 PTGS2 (0.59) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL7095155 0.76 TYMP (0.53) KDM4EPLA2G10ALDH1A1GAAHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003084935-A2 DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-10-16 WO claimed
EP-1542978-B1 NOVEL BIO-ACTIVE MOLECULES ORCHID RES LAB LTD (IN) 2011-04-13 EP disclosed
US-7317014-B2 Bio-active pyrimidine molecules ORCHID RESEARCH LABORATORIES, LTD. (IN) 2008-01-08 US disclosed
EP-1542978-A1 NOVEL BIO-ACTIVE MOLECULES Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-06-22 EP disclosed
US-20050107413-A1 Novel bio-active molecules ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2005-05-19 US disclosed
WO-2004009560-A1 NOVEL BIO-ACTIVE MOLECULES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO disclosed
WO-2003084935-A2 DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-10-16 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-20050107413-A1 Novel bio-active molecules ABCG2, UGT2B7, UGT1A1 KDM4E 4794/4885PLA2G10 3230/4885ALDH1A1 764/4885

“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.