SCHEMBL4560248

SCHEMBL4560248

CC(c1ccccc1)c1ccnc(-c2ccccc2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
NTRK1 P04629 1/20 0.43
PIM1 P11309 1/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CDC7 O00311 2/20 0.36
NR3C2 P08235 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
BTK Q06187 1/20 0.36
SRC P12931 1/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALOX5 P09917 1/20 0.36
RET P07949 1/20 0.35
LDHB P07195 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
SCHEMBL14857133 0.87 MEN1 (0.47) MEN1GAAKMT2ANTRK1PIM1
SCHEMBL4560351 0.78 KDM4E (0.39) MEN1GAAKMT2ANTRK1PIM1
SCHEMBL27907482 0.76 MEN1 (0.54) MEN1GAAKMT2ANTRK1PIM1
SCHEMBL4560246 0.75 NTRK1 (0.43) MEN1GAAKMT2ANTRK1PIM1
SCHEMBL14917460 0.74 MEN1 (0.47) MEN1GAAKMT2ANTRK1PIM1
SCHEMBL1533663 0.74 MEN1 (0.48) MEN1GAAKMT2ANTRK1PIM1
SCHEMBL27514880 0.73 MEN1 (0.46) MEN1GAAKMT2ANTRK1PIM1
SCHEMBL25229271 0.72 MEN1 (0.47) MEN1GAAKMT2ANTRK1PIM1
SCHEMBL21835618 0.72 IRAK4 (0.42) ALDH1A1KDM4ESRCALOX5TYR
SCHEMBL27511285 0.72 IRAK4 (0.42) ALDH1A1KDM4ESRCALOX5TYR

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 MEN1 1925/4885GAA 328/4885KMT2A 58/4885

“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.