SCHEMBL6092909

SCHEMBL6092909

COc1ccc(C2NC(=O)c3cccc4c3N2CCC4NC(=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
SCN9A Q15858 1/20 0.37
CYP1A2 P05177 1/20 0.37
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
F10 P00742 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6090521 0.84 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL6089551 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTCYP1A2
SCHEMBL16366465 0.81 KDM4E (0.41) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL6091299 0.81 LMNA (0.38) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL6089335 0.78 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6091122 0.78 KDM4E (0.41) ALDH1A1KDM4EGAAMAPTTP53
SCHEMBL6091583 0.77 KDM4E (0.42) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6091635 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTTP53
SCHEMBL6091407 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTTP53
SCHEMBL6091289 0.76 KDM4E (0.42) ALDH1A1KDM4EGAAMAPTTP53

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 ALDH1A1 1890/4885KDM4E 812/4885GAA 2522/4885

“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.