SCHEMBL3198319

SCHEMBL3198319

N#CC(N)=C(C#N)N=Cc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RPS6KA3 P51812 1/20 0.37
JAK3 P52333 1/20 0.37
KDM4E B2RXH2 2/20 0.36
PLAU P00749 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
OPRK1 P41145 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL3198314 1.00 GAA (0.50) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9220325 0.84 GAA (0.48) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9220328 0.84 GAA (0.48) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9226658 0.83 MAPT (0.50) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9226661 0.83 MAPT (0.50) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9703838 0.82 GAA (0.40) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL9703844 0.82 GAA (0.40) GAAMAPTALDH1A1MEN1NPC1
SCHEMBL5245692 0.80 LMNA (0.42) GAAMAPTMEN1NPC1RAB9A
SCHEMBL3191209 0.80 LMNA (0.42) GAAMAPTMEN1NPC1RAB9A
SCHEMBL9218260 0.80 GABRB3 (0.42) GAAMAPTKMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678923-B2 Method for synthesizing 5-chloro-1-aryl-4-(4,5-dicyano-1h-imidazol-2-yl)-3-alkyl-1h-pyrazole derivatives EVULTIS (CH) 2010-03-16 US disclosed
US-20070155811-A1 Method for synthesing 5-chloro-1-aryl-4-(4,5-dicyano-1h-imidazol-2-yl)-3-alkyl-1h-pyrazole derivatives EVULTIS (CH) 2007-07-05 US disclosed
EP-1618104-B1 METHOD FOR SYNTHESISING 5-CHLORO-1-ARYL-4-(4, 5-DICYANO-1H-IMIDAZOL-2-YL)-3-ALKYL-1H-PYRAZOLE DERIVATIVES EVULTIS (CH) 2007-06-20 EP disclosed
EP-1618104-A1 METHOD FOR SYNTHESISING 5-CHLORO-1-ARYL-4-(4, 5-DICYANO-1H-IMIDAZOL-2-YL)-3-ALKYL-1H-PYRAZOLE DERIVATIVES Evultis (CH) 2006-01-25 EP disclosed
WO-2004092159-A1 METHOD FOR SYNTHESISING 5-CHLORO-1-ARYL-4-(4, 5-DICYANO-1H-IMIDAZOL-2-YL)-3-ALKYL-1H-PYRAZOLE DERIVATIVES EVULTIS (CH) 2004-10-28 WO disclosed
US-5380865-A Halogen substituents MAY & BAKER LIMITED (GB) 1995-01-10 US disclosed
US-5206257-A Controlling plant nematodes, helminth, protozoa MAY & BAKER LIMITED (GB) 1993-04-27 US disclosed
EP-0283173-A1 Pesticidal method using 2-phenylimidazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-09-21 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-20070155811-A1 Method for synthesing 5-chloro-1-aryl-4-(4,5-dicyano-1h-imidazol-2-yl)-3-alkyl-1h-pyrazole derivatives CYP3A5, CYP4B1, AADAC GAA 3655/4885MAPT 2476/4885ALDH1A1 939/4885

“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.