SCHEMBL8916606

SCHEMBL8916606

CCC(=O)C(c1ccc(Cl)cc1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
HTT P42858 2/20 0.38
FFAR2 O15552 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
NFKB1 P19838 1/20 0.38
DRD3 P35462 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL12980850 0.81 ALDH1A1 (0.46) AOC3ALDH1A1GAALMNADRD3
SCHEMBL8921081 0.81 ALDH1A1 (0.46) AOC3ALDH1A1GAALMNADRD3
SCHEMBL10140990 0.80 ALDH1A1 (0.43) AOC3ALDH1A1GAASLC6A4
SCHEMBL6092822 0.79 BRD4 (0.55) AOC3BRD4ALDH1A1GAALMNA
SCHEMBL755751 0.79 ALDH1A1 (0.47) AOC3BRD4ALDH1A1GAALMNA
SCHEMBL10140569 0.79 POLB (0.38) ALDH1A1LMNASMN1; SMN2SLC6A4SLC6A3
SCHEMBL8917155 0.79 SMN1; SMN2 (0.38) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL13154965 0.78 ALDH1A1 (0.40) AOC3BRD4ALDH1A1GAALMNA
Hydrochloric Acid SCHEMBL7259111 0.78 BRD4 (0.53) AOC3BRD4ALDH1A1GAALMNA
SCHEMBL13748371 0.78 MDM2 (0.48) AOC3BRD4ALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 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 (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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 AOC3 1562/4885BRD4 1541/4885ALDH1A1 229/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 AOC3 2292/4885BRD4 319/4885ALDH1A1 287/4885

“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.