SCHEMBL10125355

SCHEMBL10125355

CC(C)C(Nc1ncccn1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FFAR2 O15552 1/20 0.36
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
IDO1 P14902 1/20 0.31
PLK1 P53350 1/20 0.31
NR4A2 P43354 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
DYRK1A Q13627 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
SCHEMBL10154754 0.80 IDH1 (0.41) CYP2C19ALDH1A1FFAR2LMNAHTT
SCHEMBL13736558 0.80 IDH1 (0.41) CYP2C19ALDH1A1FFAR2LMNAHTT
Isaxonine SCHEMBL1270289 0.79 KCNH3 (0.43) CYP2C19ALDH1A1LMNAHTTMEN1
SCHEMBL1905978 0.75 CYP2C19 (0.39) CYP2C19ALDH1A1FFAR2LMNAHTT
SCHEMBL146979 0.75 CYP2C19 (0.39) CYP2C19ALDH1A1FFAR2LMNAHTT
SCHEMBL8909450 0.75 FFAR2 (0.37) CYP2C19ALDH1A1FFAR2LMNAHTT
SCHEMBL13154005 0.73 CDK2 (0.38) CYP2C19ALDH1A1FFAR2LMNAHTT
SCHEMBL8916970 0.73 CDK2 (0.38) CYP2C19ALDH1A1FFAR2LMNAHTT
SCHEMBL9272660 0.71 ALDH1A1 (0.48) CYP2C19ALDH1A1MEN1NPC1RAB9A
SCHEMBL5622379 0.71 CYP2C19 (0.37) CYP2C19ALDH1A1FFAR2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US 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-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2C19 180/4885ALDH1A1 201/4885FFAR2 2335/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 CYP2C19 210/4885ALDH1A1 250/4885FFAR2 3078/4885

“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.