SCHEMBL13315136

SCHEMBL13315136

CC(C)(C)c1cc(N)c(C(=O)N2CCC2)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
NPSR1 Q6W5P4 3/20 0.61
TSHR P16473 2/20 0.61
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
CASP6 P55212 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
YEATS4 O95619 1/20 0.37
HPGD P15428 2/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL13487582 0.75 ALDH1A1 (0.53) ALDH1A1NPSR1TSHRMEN1KMT2A
SCHEMBL3242524 0.71 MAPK14 (0.50) ALDH1A1NPSR1TSHRMEN1KMT2A
SCHEMBL13315099 0.67 YEATS4 (0.50) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL13315134 0.67 MEN1 (0.42) ALDH1A1NPSR1TSHRMEN1KMT2A
SCHEMBL11915988 0.66 CA12 (0.48) ALDH1A1NPSR1TSHRMEN1KMT2A
SCHEMBL13315098 0.64 YEATS4 (0.50) ALDH1A1NPSR1MEN1KMT2AHTT
SCHEMBL20173650 0.61 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL4406614 0.60 MEN1 (0.96) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL4409746 0.59 HPGD (0.66) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL4407061 0.59 HTT (0.64) ALDH1A1TSHRMEN1KMT2AHTT

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 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.