SCHEMBL5409846

SCHEMBL5409846

O=C(O)CC(NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.64
ROCK1 Q13464 3/20 0.64
UTS2R Q9UKP6 1/20 0.56
CASR P41180 1/20 0.56
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
CTSA P10619 3/20 0.50
PTPN1 P18031 2/20 0.50
PTPN11 Q06124 2/20 0.50
HSD17B10 Q99714 1/20 0.49
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
RORC P51449 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL5408556 0.91 UTS2R (0.57) ROCK2ROCK1UTS2RCASRCTSA
SCHEMBL9384225 0.87 FPR2 (0.63) ROCK2ROCK1ITGB3ITGA2BMEN1
SCHEMBL31527875 0.83 EEF2K (0.58) ROCK2ROCK1ITGB3ITGA2BHSD17B10
SCHEMBL5403645 0.82 ROCK2 (0.54) ROCK2ROCK1UTS2RCASRITGB3
SCHEMBL5424871 0.79 UTS2R (0.62) ROCK2ROCK1UTS2RCASRMEN1
SCHEMBL5400966 0.79 ROCK2 (0.51) ROCK2ROCK1UTS2RCASRHSD17B10
SCHEMBL5404142 0.78 ADAMTS4 (0.56) ROCK2ROCK1UTS2RCASRPTPN1
SCHEMBL5404149 0.78 ADAMTS4 (0.56) ROCK2ROCK1UTS2RCASRPTPN1
SCHEMBL14822987 0.78 PKM (0.54) ROCK2ROCK1UTS2RCASRPTPN1
SCHEMBL9304020 0.78 KMT2A (0.57) ITGB3ITGA2BCTSAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 ROCK2 3542/4885ROCK1 3815/4885UTS2R 855/4885

“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.