SCHEMBL3593081

SCHEMBL3593081

[NH]c1cccc2[nH]c(=O)c(N3CCOCC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 5/20 0.43
KDM4E B2RXH2 3/20 0.43
APAF1 O14727 1/20 0.43
CDC25B P30305 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
CASP1 P29466 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
CASP7 P55210 1/20 0.43
FGFR1 P11362 3/20 0.41
FLT1 P17948 2/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
PRKDC P78527 4/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL3593082 0.84 FGFR1 (0.46) ALDH1A1HSD17B10KDM4EAPAF1CDC25B
SCHEMBL3588321 0.78 APAF1 (0.46) ALDH1A1HSD17B10KDM4EAPAF1CDC25B
SCHEMBL3599360 0.74 APAF1 (0.41) ALDH1A1HSD17B10KDM4EAPAF1CDC25B
SCHEMBL3598756 0.74 MAPK1 (0.43) ALDH1A1HSD17B10KDM4EAPAF1CDC25B
SCHEMBL18000094 0.69 PIK3CA (0.51) ALDH1A1HSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL3598758 0.69 MAPT (0.50) KDM4EAPAF1CDC25BCASP3SENP8
SCHEMBL3599361 0.69 MAPT (0.50) ALDH1A1HSD17B10KDM4EAPAF1CDC25B
SCHEMBL10775200 0.68 SETD2 (0.52) ALDH1A1HSD17B10KDM4EAPAF1CDC25B
SCHEMBL3588323 0.68 APAF1 (0.49) ALDH1A1KDM4EAPAF1CDC25BCASP3
SCHEMBL146694 0.67 KDM4E (0.53) ALDH1A1HSD17B10KDM4EAPAF1CDC25B

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 ALDH1A1 1904/4885HSD17B10 975/4885KDM4E 2284/4885

“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.