SCHEMBL1031322

SCHEMBL1031322

COc1cccc(C(=O)O)c1NC(=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.53
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 4/20 0.49
LMNA P02545 2/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RAB9A P51151 3/20 0.45
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
NPC1 O15118 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL7984986 0.81 LTB4R (0.55) LTB4RKMT2AKDM4EHTTCA12
SCHEMBL4510997 0.80 PDK1 (0.51) KMT2AKDM4ELMNAALOX12HTT
SCHEMBL14042913 0.80 KDM4E (0.50) KMT2AKDM4ELMNAALOX12HTT
SCHEMBL14057915 0.80 POLB (0.57) KMT2AKDM4ELMNAHTTRAB9A
SCHEMBL31031193 0.79 HTT (0.54) LTB4RKMT2AKDM4EHTTCA12
SCHEMBL27733088 0.79 KDM4E (0.49) KMT2AKDM4ELMNAALOX12HTT
SCHEMBL14042917 0.79 LMNA (0.56) KMT2AKDM4ELMNAALOX12HTT
SCHEMBL8691067 0.78 LTB4R (0.52) LTB4RKMT2AKDM4EHTTCA12
SCHEMBL17627487 0.78 CTSD (0.53) LTB4RKMT2AKDM4EHTTCA12
SCHEMBL27733097 0.77 KDM4E (0.50) KMT2AKDM4ELMNAALOX12HTT

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
EP-1330442-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2011-01-19 EP disclosed
US-7750006-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2010-07-06 US disclosed
US-7151102-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2006-12-19 US disclosed
US-20060142293-A1 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2006-06-29 US disclosed
EP-1330442-A1 PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Limited (GB) 2003-07-30 EP disclosed
US-20020183325-A1 Therapy of disease of the human or animal body mediated by poly ADP-ribosyltransferase (PARP) by administering phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2002-12-05 US disclosed
WO-2002036576-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2002-05-10 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 (2 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-20060142293-A1 Phthalazinone derivatives CBR1, CBR3, PARP2 LTB4R 378/4885KMT2A 1242/4885KDM4E 3266/4885
US-20020183325-A1 Therapy of disease of the human or animal body mediated by poly ADP-ribosyltransferase (PARP) by administering phthalazinone derivatives PARP1, PARP11, PARP3 LTB4R 2271/4885KMT2A 589/4885KDM4E 2852/4885

“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.