SCHEMBL3169145

SCHEMBL3169145

Cc1nc(NC(=O)NCc2ccccc2Oc2ccnc(Cl)n2)oc1C(C)(C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.57
ANO1 Q5XXA6 2/20 0.40
NTRK1 P04629 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 2/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL3182172 0.85 MAPK14 (0.63) MAPK14ANO1CYP2C9
SCHEMBL3177792 0.81 MAPK14 (0.58) MAPK14ANO1NTRK1ROCK2ROCK1
SCHEMBL3186160 0.78 MAPK14 (0.46) MAPK14ANO1NTRK1ROCK2ROCK1
SCHEMBL3183389 0.76 MAPK14 (0.61) MAPK14ANO1NTRK1ROCK2ROCK1
SCHEMBL3174314 0.75 KEAP1 (0.51) MAPK14KMT2AHSD17B10LMNAUSP2
SCHEMBL3176072 0.75 MAPK14 (0.58) MAPK14ANO1ROCK2ROCK1ALDH1A1
SCHEMBL3168891 0.75 MAPK14 (0.62) MAPK14ANO1ROCK2ROCK1MEN1
SCHEMBL3180046 0.72 MAPK14 (1.00) MAPK14
SCHEMBL3185429 0.72 MAPK14 (0.91) MAPK14
SCHEMBL3176301 0.71 MAPK14 (0.91) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP 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-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 MAPK14 500/4885ANO1 3096/4885NTRK1 4298/4885

“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.