SCHEMBL17048784

SCHEMBL17048784

CC[Si](CC)(CC)OC(C[N+](=O)[O-])c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.40
NLRP1 Q9C000 1/20 0.37
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
HSP90AA1 P07900 1/20 0.32
CYP3A4 P08684 2/20 0.32
NPC1 O15118 1/20 0.31
ADAM17 P78536 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17048774 0.90 NPSR1 (0.38) CNR1NLRP1ALDH1A1HSP90AA1CYP3A4
SCHEMBL17048974 0.85 ALDH1A1 (0.33) CNR1NLRP1ALDH1A1GAACYP3A4
SCHEMBL17048740 0.85 USP7 (0.30)
SCHEMBL17057122 0.84 ALDH1A1 (0.30) ALDH1A1MAPTHPGD
SCHEMBL17048806 0.84 S1PR4 (0.33) CNR1NLRP1ALDH1A1MAPTHPGD
SCHEMBL17048866 0.82 MET (0.34) NLRP1
SCHEMBL4864455 0.82 CNR1 (0.42) CNR1ALDH1A1GAAMAPTHPGD
SCHEMBL17048831 0.82
SCHEMBL17048798 0.79 MALT1 (0.34) CNR1NPC1
SCHEMBL17048698 0.78 TAAR1 (0.36) CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA CNR1 542/4885NLRP1 29/4885ALDH1A1 923/4885

“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.