SCHEMBL3596149

SCHEMBL3596149

COCCN1Cc2cccc(N)c2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.49
PARP2 Q9UGN5 1/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 6/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MCL1 Q07820 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3596146 0.84 PARP1 (0.46) PARP1PARP2MAPK1ALDH1A1HTT
SCHEMBL3593434 0.82 PARP1 (0.47) PARP1PARP2HTTKDM4EALOX15
SCHEMBL3600610 0.78 PARP1 (0.41) PARP1PARP2MAPK1ALDH1A1HSD17B10
SCHEMBL31192602 0.77 BRD4 (0.57) PARP1MAPK1ALDH1A1HTTHSD17B10
SCHEMBL13077879 0.77 BRD4 (0.57) PARP1MAPK1ALDH1A1HTTHSD17B10
SCHEMBL3587267 0.76 BRD4 (0.54) PARP1
SCHEMBL3597379 0.73 BRD4 (0.41) PARP1MAPK1ALDH1A1HTTHSD17B10
SCHEMBL3584900 0.73 CA9 (0.43) PARP1PARP2MAPK1ALDH1A1HTT
SCHEMBL9934256 0.69 IDH1 (0.48) PARP1PARP2MAPK1ALDH1A1HTT
SCHEMBL3600609 0.69 ACE (0.40) PARP1MAPK1ALDH1A1HTTHSD17B10

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 PARP1 1468/4885PARP2 2079/4885MAPK1 1102/4885

“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.