SCHEMBL3174871

SCHEMBL3174871

CC(C)(C)c1csc(NC(=O)NCc2ccccc2O)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.64
ROCK1 Q13464 6/20 0.64
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
MAPK1 P28482 3/20 0.60
ALDH1A1 P00352 3/20 0.60
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPK14 Q16539 1/20 0.53
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RECQL P46063 1/20 0.50
ANO1 Q5XXA6 1/20 0.49

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
SCHEMBL77074 0.85 MAPK1 (0.69) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL77442 0.84 KMT2A (0.68) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2558081 0.78 ROCK1 (1.00) ROCK2ROCK1
SCHEMBL20788543 0.77 NPC1 (0.77) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL3179575 0.77 ALDH1A1 (0.55) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL77064 0.77 KMT2A (0.70) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL3168891 0.77 MAPK14 (0.62) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL77627 0.76 NPC1 (0.59) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL10078887 0.76 MEN1 (1.00) ROCK1MEN1KMT2ANPC1RAB9A
SCHEMBL77629 0.74 ROCK1 (0.68) ROCK2ROCK1MEN1KMT2ANPC1

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 6 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
CN-101316841-A Arylmethylene urea derivative and use thereof TORAY INDUSTRIES (JP) 2008-12-03 CN 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 ROCK2 3744/4885ROCK1 4027/4885MEN1 3856/4885

“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.