SCHEMBL1719475

SCHEMBL1719475

FC(F)(F)c1cc(-c2ncc[nH]2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.47
MTOR P42345 1/20 0.47
ADK P55263 1/20 0.47
SMPD3 Q9NY59 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
BRD4 O60885 1/20 0.38
IKBKB O14920 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.36
SCN2A Q99250 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
S1PR1 P21453 3/20 0.35

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
SCHEMBL2049230 0.90 NISCH (0.42) NISCHMTORADKSMPD3MRGPRX4
SCHEMBL1719134 0.82 MRGPRX4 (0.58) NISCHMTORADKMRGPRX4ALDH1A1
SCHEMBL772274 0.81 NISCH (0.58) NISCHMTORADKMRGPRX4ALDH1A1
SCHEMBL28494454 0.79 NISCH (0.62) NISCHMTORADKSMPD3ALDH1A1
SCHEMBL9217753 0.77 MRGPRX4 (0.47) NISCHMTORADKMRGPRX4ALDH1A1
SCHEMBL1688519 0.74 NISCH (0.52) NISCHMTORADKSMPD3ALDH1A1
SCHEMBL6002867 0.73 SMPD3 (0.45) NISCHMTORADKSMPD3MRGPRX4
SCHEMBL1688637 0.72 NISCH (0.50) NISCHMTORADKSMPD3MRGPRX4
SCHEMBL18988980 0.72 MPL (0.44) NISCHMTORADKMRGPRX4IDO1
SCHEMBL29755488 0.72 MPL (0.44) NISCHMTORADKMRGPRX4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
CN-101687844-B Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2013-11-13 CN disclosed
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2254871-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS Technische Universität Dresden (DE) 2010-12-01 EP disclosed
CN-101687844-A Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2010-03-31 CN disclosed
WO-2009095012-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF Technische Universität Dresden (DE) 2009-08-06 WO disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US disclosed
EP-1373270-B1 TRICYCLIC QUINOXALINE DERIVATIVES AS A UV FILTER MERCK PATENT GMBH (DE) 2007-06-06 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 (2 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-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B NISCH 370/4885MTOR 3417/4885ADK 1963/4885
US-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 NISCH 1501/4885MTOR 4145/4885ADK 3201/4885

“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.