SCHEMBL6091358

SCHEMBL6091358

COc1ccc(C2NC(=O)c3cccc4c3N2CCC4=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38
KDM1A O60341 2/20 0.38
PDE5A O76074 3/20 0.36
KLK7 P49862 1/20 0.35
CREBBP Q92793 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TDP2 O95551 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL6092303 0.92 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6088925 0.90 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6091130 0.88 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6090132 0.88 ALDH1A1 (0.41) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6092154 0.88 GAA (0.40) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6090310 0.88 MAPT (0.43) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6090982 0.87 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6090978 0.87 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6092128 0.87 HTR2C (0.34) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6091282 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDMAPTGAA

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 812/4885ALDH1A1 1890/4885HPGD 1459/4885

“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.