SCHEMBL8916540

SCHEMBL8916540

CCC(=O)C(c1cccnc1)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNA5 P22460 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
TBXAS1 P24557 1/20 0.40

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
SCHEMBL753967 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAL3MBTL1ALDH1A1OPRM1
SCHEMBL890184 0.82 POLB (0.46) SMN1; SMN2LMNAL3MBTL1ALDH1A1OPRM1
SCHEMBL6641302 0.82 MAPK1 (0.46) SMN1; SMN2LMNAL3MBTL1ALDH1A1OPRM1
SCHEMBL14853051 0.81 SMN1; SMN2 (0.43) SMN1; SMN2LMNAL3MBTL1ALDH1A1OPRM1
SCHEMBL5404433 0.81 TRPM8 (0.50) SMN1; SMN2LMNAL3MBTL1ALDH1A1OPRM1
SCHEMBL8917155 0.80 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL12980850 0.80 ALDH1A1 (0.46) LMNAALDH1A1OPRM1OPRD1KMT2A
SCHEMBL8921081 0.80 ALDH1A1 (0.46) LMNAALDH1A1OPRM1OPRD1KMT2A
Hydrochloric Acid SCHEMBL2673895 0.79 TRPM8 (0.49) SMN1; SMN2LMNAL3MBTL1ALDH1A1OPRM1
SCHEMBL888851 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1ALDH1A1OPRM1

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
WO-2013052369-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 WO disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 SMN1; SMN2 4162/4885LMNA 2800/4885L3MBTL1 2575/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SMN1; SMN2 3741/4885LMNA 3064/4885L3MBTL1 1834/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 SMN1; SMN2 4162/4885LMNA 2800/4885L3MBTL1 2575/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 SMN1; SMN2 3515/4885LMNA 2724/4885L3MBTL1 1418/4885

“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.