SCHEMBL5222703

SCHEMBL5222703

COc1ccc(Cc2cc3ccccc3c(=O)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.58
LOXL2 Q9Y4K0 1/20 0.53
CASP3 P42574 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
APAF1 O14727 1/20 0.50
TDP2 O95551 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
SENP8 Q96LD8 1/20 0.50
MAOB P27338 1/20 0.48
PARP1 P09874 2/20 0.48
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
LTA4H P09960 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TNKS O95271 2/20 0.47
NPC1 O15118 1/20 0.47
GUSB P08236 1/20 0.47

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
SCHEMBL6600286 0.86 LOXL2 (0.50) CDC25BLOXL2CASP3SENP7APAF1
SCHEMBL7106470 0.83 PARP1 (0.65) CDC25BLOXL2CASP3SENP7APAF1
SCHEMBL31716561 0.81 LOXL2 (0.57) CDC25BLOXL2CASP3SENP7APAF1
SCHEMBL31717057 0.81 LOXL2 (0.57) CDC25BLOXL2CASP3SENP7APAF1
SCHEMBL9541047 0.81 LOXL2 (0.57) CDC25BLOXL2CASP3SENP7APAF1
SCHEMBL6995469 0.81 AHR (0.60) LOXL2CASP3SENP7SENP8KDM4E
SCHEMBL5214046 0.81 LOXL2 (0.57) CDC25BLOXL2CASP3SENP7APAF1
SCHEMBL9279013 0.79 ALDH1A1 (0.60) KDM4EGAALTA4HSMN1; SMN2ALDH1A1
SCHEMBL31717068 0.77 LOXL2 (0.53) CDC25BLOXL2CASP3SENP7APAF1
SCHEMBL4769021 0.77 TNKS (0.64) CDC25BCASP3SENP7APAF1TDP2

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
EP-1397350-B1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS KUDOS PHARM LTD (GB) 2007-02-28 EP disclosed
EP-1397350-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS Kudos Pharmaceuticals Limited (GB) 2004-03-17 EP disclosed
US-6664269-B2 Adminisetring isoquinolinone compounds for therapy of disease mediated by the enzyme poly(ADP- ribose)polymerase (\"PARP\") MAYBRIDGE PLC (GB) 2003-12-16 US disclosed
US-20030008896-A1 Isoquinolinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2003-01-09 US disclosed
WO-2002090334-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2002-11-14 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-20030008896-A1 Isoquinolinone derivatives PARP1, PARP2, PARP3 CDC25B 2765/4885LOXL2 3607/4885CASP3 425/4885

“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.