SCHEMBL13487567

SCHEMBL13487567

CNC(=O)Nc1cc(C(C)(C)C)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.35
MAPK14 Q16539 5/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
NTRK1 P04629 1/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.32
CDK8 P49336 1/20 0.32

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
SCHEMBL18233020 0.85 JAK2 (0.41) ALDH1A1HPGDTSHRLMNAMAPT
SCHEMBL28454526 0.81 CDK8 (0.44) ALDH1A1HPGDTSHRLMNAMAPT
SCHEMBL18233029 0.80 MEN1 (0.52) ALDH1A1TSHRLMNAMAPTSMN1; SMN2
SCHEMBL18330359 0.79 LMNA (0.45) HPGDTSHRLMNASMN1; SMN2MAPK14
SCHEMBL16591601 0.79 SMN1; SMN2 (0.46) HPGDTSHRLMNAMAPTSMN1; SMN2
SCHEMBL18415215 0.78 ALDH1A1 (0.34) ALDH1A1HPGDTSHRLMNAMAPT
SCHEMBL3188434 0.78 KMT2A (0.50) LMNAMAPTSMN1; SMN2MAPK14MAPK13
SCHEMBL18236188 0.77 SMN1; SMN2 (0.46) ALDH1A1HPGDMAPTSMN1; SMN2RECQL
SCHEMBL668208 0.77 MAPK14 (0.60) LMNAMAPTSMN1; SMN2MAPK14KMT2A
SCHEMBL13045903 0.76 HPGD (0.46) HPGDTSHRLMNAMAPT

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 3577/4885HPGD 819/4885TSHR 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.