SCHEMBL6092971

SCHEMBL6092971

COc1ccc([C@H]2NC(=O)c3cccc4c3N2CC[C@@H]4N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TNKS2 Q9H2K2 2/20 0.42
DRD4 P21917 1/20 0.39
JAK2 O60674 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAOA P21397 1/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 2/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36

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
SCHEMBL6089444 1.00 KDM4E (0.42) KDM4EALDH1A1NPSR1TNKS2DRD4
SCHEMBL6089125 1.00 KDM4E (0.42) KDM4EALDH1A1NPSR1TNKS2DRD4
SCHEMBL6091289 1.00 KDM4E (0.42) KDM4EALDH1A1NPSR1TNKS2DRD4
Hydrochloric Acid SCHEMBL6091722 0.99 KDM4E (0.41) KDM4EALDH1A1NPSR1TNKS2DRD4
SCHEMBL6089695 0.91 MTNR1A (0.36) KDM4EALDH1A1NPSR1TNKS2DRD4
SCHEMBL6090178 0.91 MTNR1A (0.36) KDM4EALDH1A1NPSR1TNKS2DRD4
SCHEMBL6091400 0.91 MTNR1A (0.36) KDM4EALDH1A1NPSR1TNKS2DRD4
SCHEMBL6091466 0.91 MTNR1A (0.36) KDM4EALDH1A1NPSR1TNKS2DRD4
SCHEMBL6091425 0.89 LMNA (0.39)
SCHEMBL6092426 0.89 LMNA (0.39)

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 1 patent. 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

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 1890/4885NPSR1 4036/4885

“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.