SCHEMBL6600286

SCHEMBL6600286

COc1cccc(Cc2cc3ccccc3c(=O)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
DAO P14920 1/20 0.50
CDC25B P30305 2/20 0.49
PARP1 P09874 1/20 0.49
APAF1 O14727 1/20 0.48
TDP2 O95551 1/20 0.48
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
KMT2A Q03164 2/20 0.48
MMP13 P45452 2/20 0.47
ALPL P05186 1/20 0.47
VKORC1 Q9BQB6 1/20 0.47
SERPINE1 P05121 1/20 0.47
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 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
SCHEMBL5222703 0.86 CDC25B (0.58) LOXL2DAOCDC25BPARP1APAF1
SCHEMBL7493650 0.82 AHR (0.57) LOXL2CASP3SENP8SENP7KMT2A
SCHEMBL7106470 0.81 PARP1 (0.65) LOXL2DAOCDC25BPARP1APAF1
SCHEMBL6602290 0.79 LOXL2 (0.54) LOXL2DAOCDC25BPARP1APAF1
SCHEMBL4930433 0.77 MMP13 (0.62) KMT2AMMP13MEN1MAPT
SCHEMBL11833690 0.77 DAO (0.51) DAOKMT2AKDM4CKDM5BMEN1
SCHEMBL11833679 0.75 DAO (0.49) DAOKMT2AKDM4CKDM5B
SCHEMBL6607047 0.75 VKORC1 (0.55) CASP3SENP7KMT2AVKORC1POLB
SCHEMBL7952048 0.74 RAB9A (0.61) KMT2AMMP13POLBMEN1MAPT
SCHEMBL17204641 0.74 GPR84 (0.52) DAOVKORC1KDM4CKDM5B

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
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 LOXL2 3607/4885DAO 2461/4885CDC25B 2765/4885

“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.