SCHEMBL3207166

SCHEMBL3207166

CCOC(=O)c1nc(C(C)(C)C)sc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
CYP1A2 P05177 1/20 0.53
HPGD P15428 4/20 0.52
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FHIT P49789 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IKBKB O14920 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL20552832 0.86 ALDH1A1 (0.51) ALDH1A1CYP1A2HPGDMAPTGAA
SCHEMBL1194383 0.80 ALDH1A1 (0.58) ALDH1A1CYP1A2HPGDMAPTGAA
SCHEMBL2367363 0.79 ALDH1A1 (0.57) ALDH1A1CYP1A2HPGDMAPTGAA
SCHEMBL27703537 0.78 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDMAPTGAA
SCHEMBL31163635 0.78 ALDH1A1 (0.55) ALDH1A1CYP1A2HPGDMAPTGAA
SCHEMBL1973691 0.78 ALDH1A1 (0.55) ALDH1A1CYP1A2HPGDMAPTGAA
SCHEMBL11872430 0.78 ALDH1A1 (0.56) ALDH1A1CYP1A2HPGDMAPTGAA
SCHEMBL3201427 0.76 COPS5 (0.40) ALDH1A1CYP1A2HPGDSMN1; SMN2MEN1
SCHEMBL10966106 0.76 GAA (0.55) ALDH1A1CYP1A2HPGDMAPTGAA
SCHEMBL1968519 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2HPGDMAPTGAA

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
WO-2010019930-A1 UREA DERIVATIVES AS INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 WO 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 3577/4885CYP1A2 4174/4885HPGD 819/4885

“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.