SCHEMBL6090978

SCHEMBL6090978

COc1ccc(C2NC(=O)c3cccc4c3N2CC/C4=N\O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 7/20 0.36
PDE5A O76074 4/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM1A O60341 2/20 0.34
FKBP1A P62942 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KLK7 P49862 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL6090982 1.00 KDM4E (0.37) KDM4EGAAALDH1A1PDE5AHPGD
SCHEMBL6091283 0.93 KDM4E (0.37) KDM4EGAAALDH1A1PDE5AHPGD
SCHEMBL6091280 0.93 KDM4E (0.37) KDM4EGAAALDH1A1PDE5AHPGD
SCHEMBL6089511 0.90 KDM4E (0.38) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL6089506 0.90 KDM4E (0.38) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL6091975 0.88 PARP1 (0.35) KDM4EALDH1A1HPGDCREBBP
SCHEMBL6091971 0.88 PARP1 (0.35) KDM4EALDH1A1HPGDCREBBP
SCHEMBL6090687 0.88 KDM4E (0.46) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL6091358 0.87 KDM4E (0.39) KDM4EGAAALDH1A1PDE5AHPGD
SCHEMBL6091162 0.83 PARP1 (0.42) KDM4EGAAALDH1A1HPGDSMN1; SMN2

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-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 EP 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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 KDM4E 812/4885GAA 2522/4885ALDH1A1 1890/4885

“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.