SCHEMBL3598756

SCHEMBL3598756

[NH]c1ccc2cc(N3CCOCC3)c(=O)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
APAF1 O14727 1/20 0.41
CDC25B P30305 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
PRKDC P78527 5/20 0.38
LGMN Q99538 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
HSD17B10 Q99714 4/20 0.36
ALDH1A1 P00352 3/20 0.36
ITK Q08881 1/20 0.36
CASP1 P29466 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3599360 0.89 APAF1 (0.41) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL3598758 0.83 MAPT (0.50) MAPK1APAF1CDC25BCASP3SENP8
SCHEMBL13545297 0.80 APAF1 (0.41) MAPK1APAF1CDC25BCASP3SENP8
SCHEMBL3599361 0.75 MAPT (0.50) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL3588321 0.74 APAF1 (0.46) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL3593081 0.74 ALDH1A1 (0.43) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL1083110 0.72 MAPK1 (0.55) MAPK1PDE3BPDE3AALDH1A1CASP1
SCHEMBL9387635 0.70 ALDH1A1 (0.45) MAPK1MEN1POLBKMT2AHSD17B10
SCHEMBL14580459 0.69 MAPK1 (0.55) MAPK1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL3588323 0.69 APAF1 (0.49) APAF1CDC25BCASP3SENP8SENP7

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 MAPK1 1102/4885APAF1 4106/4885CDC25B 463/4885

“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.