SCHEMBL7585508

SCHEMBL7585508

Nc1ccc2[nH]c(=O)c3cccc(O)c3c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.62
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
IDE P14735 1/20 0.44
MPI P34949 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
NGFR P08138 1/20 0.43
DAO P14920 4/20 0.42
DDO Q99489 3/20 0.42
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL7250753 0.82 KDM4E (0.52) PARP1TNKSTNKS2CA12CA9
SCHEMBL7250779 0.77 PARP1 (0.66) PARP1TNKSTNKS2CA12CA9
SCHEMBL1230435 0.77 PARP1 (1.00) PARP1TNKSTNKS2KDM4EALDH1A1
SCHEMBL20597354 0.70 IMPDH2 (0.67) PARP1TNKSTNKS2CA12CA9
SCHEMBL1771631 0.70 KDM4E (0.59) PARP1CA12CA9KDM4EALDH1A1
SCHEMBL7252401 0.70 ROCK2 (0.52) PARP1KDM4EALDH1A1MAPTCDK2
SCHEMBL4610600 0.70 PARP1 (0.62) PARP1CA12CA9KDM4EALDH1A1
SCHEMBL1549859 0.69 TNKS2 (0.60) PARP1TNKSTNKS2KDM4EALDH1A1
SCHEMBL14449851 0.69 KDM4E (0.70) PARP1KDM4EMAPTCDK2
SCHEMBL5879153 0.68 CHEK1 (0.59) PARP1CA12CA9NGFRAR

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-6348475-B1 POLYMERASE INHIBITOR GUILFORD PHARMACEUTICALS INC. 2002-02-19 US disclosed
US-20020019417-A1 Methods, compounds and compositions for treating gout EISAI INC. 2002-02-14 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-20020019417-A1 Methods, compounds and compositions for treating gout PARP2, PARP1, PARP3 PARP1 2/4885TNKS 22/4885TNKS2 39/4885

“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.