SCHEMBL3588321

SCHEMBL3588321

[NH]c1cccc2cc(N3CCOCC3)c(=O)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.46
CDC25B P30305 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
PRKDC P78527 5/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
S100A4 P26447 2/20 0.37
SETD2 Q9BYW2 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL10775200 0.84 SETD2 (0.52) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL3588323 0.84 APAF1 (0.49) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL3593081 0.78 ALDH1A1 (0.43) APAF1CDC25BCASP3SENP8SENP7
Hydrochloric Acid SCHEMBL10773738 0.74 ALDH1A1 (0.51) PRKDCMEN1KMT2AMAPTHSD17B10
SCHEMBL3598756 0.74 MAPK1 (0.43) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL3599360 0.74 APAF1 (0.41) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL9432615 0.71 DAO (0.56) MAPTALDH1A1
Hydrochloric Acid SCHEMBL10773003 0.69 ALDH1A1 (0.46) MEN1KMT2AHSD17B10SETD2KDM4E
SCHEMBL18000224 0.69 HSD17B10 (0.44) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL3599361 0.69 MAPT (0.50) 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 APAF1 4106/4885CDC25B 463/4885CASP3 106/4885

“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.