SCHEMBL13315134

SCHEMBL13315134

CC(C)(C)c1cc(N)c(C(=O)N2CCC2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.39
STK25 O00506 1/20 0.39
YEATS4 O95619 1/20 0.37
HPGD P15428 2/20 0.36
CNR2 P34972 4/20 0.36
HSD11B1 P28845 1/20 0.36
PTGS2 P35354 1/20 0.34
HRH4 Q9H3N8 4/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR1 P21554 2/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL13315133 0.83 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL3548879 0.82 MAPK14 (0.43) HPGDPTGS2MAPK14
SCHEMBL13315141 0.77 MAPT (0.43) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL13487583 0.75 MAPK14 (0.49) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL3545622 0.72 CNR2 (0.34) SMN1; SMN2CNR2MAPK14
SCHEMBL3220088 0.71 MAPK14 (0.55) ALDH1A1KDM4EHPGDTSHRNPSR1
SCHEMBL3244391 0.71 MAPK14 (0.53) MAPK14
SCHEMBL13315136 0.67 ALDH1A1 (0.61) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL13315099 0.67 YEATS4 (0.50) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL13315098 0.64 YEATS4 (0.50) MEN1KMT2AALDH1A1HTTSMN1; SMN2

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-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 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-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 MEN1 3623/4885KMT2A 3153/4885ALDH1A1 3577/4885

“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.