SCHEMBL7106470

SCHEMBL7106470

O=c1[nH]c(Cc2ccccc2)cc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.65
LOXL2 Q9Y4K0 1/20 0.64
CDC25B P30305 2/20 0.58
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 3/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
APAF1 O14727 2/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
ALDH1A1 P00352 2/20 0.50
DAO P14920 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50
GALK1 P51570 1/20 0.50
UBE2I P63279 1/20 0.50

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
SCHEMBL9541047 0.87 LOXL2 (0.57) PARP1LOXL2CDC25BKMT2AKDM4E
SCHEMBL31717057 0.87 LOXL2 (0.57) PARP1LOXL2CDC25BKMT2AKDM4E
SCHEMBL5214046 0.87 LOXL2 (0.57) PARP1LOXL2CDC25BKMT2AKDM4E
SCHEMBL31716561 0.87 LOXL2 (0.57) PARP1LOXL2CDC25BKMT2AKDM4E
SCHEMBL6602290 0.84 LOXL2 (0.54) PARP1LOXL2CDC25BKMT2AKDM4E
SCHEMBL6603861 0.84 LOXL2 (0.62) PARP1LOXL2CDC25BKMT2AKDM4E
SCHEMBL31717068 0.83 LOXL2 (0.53) PARP1LOXL2CDC25BKMT2AKDM4E
SCHEMBL5222703 0.83 CDC25B (0.58) PARP1LOXL2CDC25BKMT2AKDM4E
SCHEMBL6600286 0.81 LOXL2 (0.50) PARP1LOXL2CDC25BKMT2AAPAF1
SCHEMBL7452968 0.78 LOXL2 (0.68) PARP1LOXL2CDC25BKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110724101-A Polysubstituted isoquinoline-1 (2H) -ketone derivative and preparation method thereof 成都大学 2020-01-24 CN 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

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 PARP1 1/4885LOXL2 3607/4885CDC25B 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.