SCHEMBL13487582

SCHEMBL13487582

CNC(=O)Nc1cc(C(C)(C)C)oc1C(=O)N1CCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TSHR P16473 1/20 0.53
MAPK14 Q16539 5/20 0.49
RAF1 P04049 2/20 0.44
CNR2 P34972 7/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
YEATS4 O95619 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL13315136 0.75 ALDH1A1 (0.61) ALDH1A1NPSR1TSHRCNR2MEN1
SCHEMBL13487547 0.74 MAPK14 (0.56) MAPK14RAF1YEATS4
SCHEMBL13487583 0.72 MAPK14 (0.49) ALDH1A1MAPK14RAF1CNR2MEN1
SCHEMBL13487574 0.69 MAPK14 (0.56) MAPK14
SCHEMBL3242374 0.66 MAPK14 (1.00) MAPK14RAF1
SCHEMBL3241912 0.65 MAPK14 (0.80) MAPK14RAF1MEN1KMT2AHTT
SCHEMBL3241549 0.64 MAPK14 (0.76) ALDH1A1NPSR1MAPK14RAF1MEN1
SCHEMBL15613181 0.63 KDM4E (0.67) ALDH1A1NPSR1KMT2ASMN1; SMN2MAPT
SCHEMBL13487559 0.62 MAPK14 (0.53) ALDH1A1MAPK14CNR2SMN1; SMN2MAPT
SCHEMBL3229662 0.61 MAPK14 (1.00) ALDH1A1MAPK14RAF1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3577/4885NPSR1 4769/4885TSHR 4782/4885

“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.