SCHEMBL4581652

SCHEMBL4581652

[CH2]CNC(=O)COc1cccc(-n2cnnn2)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.70
RAB9A P51151 1/20 0.69
KMT2A Q03164 7/20 0.65
TSHR P16473 3/20 0.62
ALDH1A1 P00352 2/20 0.61
MAPK10 P53779 1/20 0.61
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL1790357 0.82 TP53 (1.00) TP53RAB9AKMT2ATSHRALDH1A1
SCHEMBL4679461 0.82 POLB (0.72) TP53RAB9AKMT2ATSHRALDH1A1
SCHEMBL4581685 0.82 TP53 (0.72) TP53RAB9AKMT2ATSHRALDH1A1
SCHEMBL29928369 0.82 TP53 (0.72) TP53RAB9AKMT2ATSHRALDH1A1
SCHEMBL4582080 0.81 TP53 (0.72) TP53RAB9AKMT2ATSHRALDH1A1
SCHEMBL4592430 0.81 TP53 (0.87) TP53RAB9AKMT2ATSHRALDH1A1
SCHEMBL4581758 0.80 TP53 (0.82) TP53RAB9AKMT2ATSHRALDH1A1
SCHEMBL4581862 0.80 TP53 (0.82) TP53RAB9AKMT2ATSHRALDH1A1
SCHEMBL4583136 0.80 TP53 (0.82) TP53RAB9AKMT2ATSHRALDH1A1
SCHEMBL4581321 0.80 TP53 (0.78) TP53RAB9AKMT2ATSHRALDH1A1

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-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB TP53 1271/4885RAB9A 1443/4885KMT2A 1897/4885

“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.