SCHEMBL4560249

SCHEMBL4560249

NC(=O)c1ccc(CCc2ccccc2)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.43
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DHFR P00374 1/20 0.40
RPS6KB1 P23443 2/20 0.40
AKT1 P31749 1/20 0.40
BCAT2 O15382 1/20 0.40
PLA2G2A P14555 4/20 0.40
PLA2G10 O15496 3/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CDC7 O00311 2/20 0.39
PARP1 P09874 2/20 0.39
NR4A2 P43354 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL1533665 0.82 PARP1 (0.54) KDM4EMEN1KMT2ABCAT2ALDH1A1
SCHEMBL6616377 0.74 BCAT2 (0.47) KDM4EMEN1KMT2ABCAT2ALDH1A1
SCHEMBL29002505 0.73 KDM4E (0.53) KDM4EMEN1KMT2ABCAT2ALDH1A1
SCHEMBL4782645 0.73 BCAT2 (0.46) KDM4EMEN1KMT2ABCAT2ALDH1A1
SCHEMBL11901439 0.73 SIRT2 (0.64) SIRT2KDM4EKMT2ABCAT2PLA2G2A
SCHEMBL2402498 0.71 KDM4E (0.57) SIRT2KDM4EMEN1KMT2APLA2G2A
SCHEMBL4504523 0.70 JAK2 (0.49) KDM4EMEN1KMT2ABCAT2ALDH1A1
Carbamic Acid SCHEMBL2222080 0.69 FFAR1 (0.62) PLA2G2APLA2G10ALDH1A1NOS1
Urea SCHEMBL2006220 0.69 FFAR1 (0.62) PLA2G2APLA2G10ALDH1A1NOS1
SCHEMBL11818086 0.68 KCNH2 (0.66) KCNH2KDM4EDHFRALDH1A1NOS1

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 KCNH2 2433/4885SIRT2 47/4885KDM4E 91/4885

“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.