SCHEMBL4592417

SCHEMBL4592417

NC(=O)C(=Cc1ccccc1)n1cnnn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
NOTUM Q6P988 1/20 0.39
HMOX1 P09601 1/20 0.38
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 4/20 0.36
CYP24A1 Q07973 1/20 0.35
AKR1C3 P42330 1/20 0.35
KCNJ1 P48048 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
SCHEMBL4592415 1.00 MCL1 (0.41) MCL1NOTUMHMOX1KMT2ARAB9A
Biphenyl SCHEMBL2202263 0.72 NOTUM (0.44) NOTUMHMOX1KMT2ARAB9ATP53
SCHEMBL918756 0.68 NOTUM (0.47) NOTUMHMOX1KMT2ARAB9ASMN1; SMN2
SCHEMBL22471559 0.67 KMT2A (0.56) MCL1KMT2A
SCHEMBL707611 0.66
SCHEMBL1502065 0.65 KMT2A (0.50) NOTUMKMT2ATP53SMN1; SMN2
SCHEMBL3079013 0.65 TP53 (0.54) KMT2ARAB9ATP53SMN1; SMN2
SCHEMBL23248712 0.65 CHRM1 (0.58) MCL1KMT2A
SCHEMBL30491169 0.65 RAB9A (0.55) KMT2ARAB9ATP53SMN1; SMN2AKR1C3
SCHEMBL17397066 0.65 MCL1 (0.57) MCL1KMT2ATP53SMN1; SMN2AKR1C3

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 MCL1 139/4885NOTUM 3734/4885HMOX1 2218/4885

“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.