SCHEMBL3597379

SCHEMBL3597379

COCCN1Cc2cc(N)ccc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.41
PARP1 P09874 1/20 0.41
MAPK1 P28482 5/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ADRA1B P35368 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL3584900 0.89 CA9 (0.43) BRD4PARP1MAPK1ALDH1A1KDM4E
SCHEMBL3597377 0.84 BRD4 (0.40) BRD4PARP1MAPK1ALDH1A1KDM4E
SCHEMBL3588940 0.82 BRD4 (0.41) BRD4PARP1ALDH1A1KDM4EGAA
SCHEMBL13077879 0.80 BRD4 (0.57) BRD4PARP1MAPK1ALDH1A1KDM4E
SCHEMBL31192602 0.80 BRD4 (0.57) BRD4PARP1MAPK1ALDH1A1KDM4E
SCHEMBL14934080 0.79 MAPK1 (0.38) BRD4PARP1MAPK1ALDH1A1KDM4E
SCHEMBL28612494 0.78 PARP1 (0.48) PARP1ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL30100744 0.76 BRD4 (0.66) BRD4
SCHEMBL3593649 0.76 BRD4 (0.66) BRD4
SCHEMBL3584898 0.76 ALDH1A1 (0.39) BRD4PARP1MAPK1ALDH1A1KDM4E

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 BRD4 706/4885PARP1 1468/4885MAPK1 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.