SCHEMBL7108447

SCHEMBL7108447

O=c1[nH]cc(Cc2ccco2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.42
PARP1 P09874 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
AHR P35869 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
PNP P00491 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL25082471 0.81 MEN1 (0.65) TSHRPOLBCTDSP1KDM4EMAPT
SCHEMBL5223001 0.75 KMT2A (0.62) PARP1KDM4EMAPTMEN1CYP3A4
SCHEMBL7010688 0.74 PNP (0.41) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL11816663 0.72 PARP1 (0.52) TSHRPARP1KDM4EMAPTMEN1
SCHEMBL4969020 0.71 TSHR (0.42) TSHRPOLBKDM4EMAPTMEN1
SCHEMBL31309227 0.70 PARP1 (0.46) PARP1KDM4EMAPTMEN1CYP3A4
SCHEMBL22094224 0.70 PARP1 (0.46) PARP1KDM4EMAPTMEN1CYP3A4
SCHEMBL5216843 0.70 MEN1 (0.47) PARP1KDM4EMAPTMEN1CYP3A4
SCHEMBL6605700 0.70 MEN1 (0.47) TSHRPARP1KDM4EMAPTMEN1
SCHEMBL3157223 0.70 MET (0.53) PARP1KDM4EMAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 4374/4885POLB 26/4885PARP1 1/4885

“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.