SCHEMBL4629758

SCHEMBL4629758

CN(C(=O)CCl)C(C)(C)C#N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 2/20 0.31
HTT P42858 1/20 0.31
DPP4 P27487 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16621838 0.81 CYP2C9 (0.35) ALDH1A1DPP4CYP2C9
SCHEMBL11892723 0.76 ALDH1A1 (0.33) ALDH1A1DPP4
SCHEMBL5478015 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL224792 0.75 ALDH1A1 (0.35) ALDH1A1RAB9AHTTNPC1LMNA
SCHEMBL17472073 0.73 DPP4 (0.31) DPP4
SCHEMBL18312207 0.71 DPP4 (0.33) DPP4
SCHEMBL6297662 0.68 ALDH1A1 (0.36) ALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL8747226 0.68 ZDHHC20 (0.35) ALDH1A1DPP4
SCHEMBL16083147 0.65
SCHEMBL9636884 0.64 HMGCR (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332459-B2 Benzimidazole derivatives and their uses TEIJIN PHARMA LIMITED (JP) 2022-05-17 US disclosed
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2020-10-01 US disclosed
US-20080227635-A1 Dicyano Alkanoic Acid Amides for Combating Animal Pests BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US disclosed
EP-1916895-A1 DICYANO ALKANOIC ACID AMIDES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-05-07 EP disclosed
WO-2007014899-A1 DICYANO ALKANOIC ACID AMIDES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2007-02-08 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 (3 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-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES TRPC6, TRPV6, TRPM6 ALDH1A1 1564/4885RAB9A 3271/4885HTT 2535/4885
US-20080227635-A1 Dicyano Alkanoic Acid Amides for Combating Animal Pests CBR3, CBR1, C3AR1 ALDH1A1 1759/4885RAB9A 605/4885HTT 2385/4885
US-11332459-B2 Benzimidazole derivatives and their uses TRPC6, TRPV6, TRPM6 ALDH1A1 1564/4885RAB9A 3271/4885HTT 2535/4885

“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.