SCHEMBL10140573

SCHEMBL10140573

CCC(=O)C(c1csc(C)n1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
PTPRB P23467 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GFER P55789 1/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ECE1 P42892 1/20 0.32
HPGD P15428 1/20 0.32
OXTR P30559 1/20 0.31

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
SCHEMBL19334007 0.85 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL8920865 0.83 RAB9A (0.34) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL755255 0.83 GAA (0.37) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL888813 0.81 OXTR (0.33) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL8908457 0.79 SMN1; SMN2 (0.35) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL19578316 0.79 CHRM1 (0.32) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL4476254 0.70 POLB (0.40) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL27858551 0.70 SMN1; SMN2 (0.36) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL18526767 0.70 PGR (0.36) MAPTGAAPOLBKDM4EALDH1A1
SCHEMBL26742797 0.68 SMN1; SMN2 (0.33) SMN1; SMN2RAB9ANPC1MAPTGAA

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
WO-2013052369-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 WO disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 WO 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
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US 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
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 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 (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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SMN1; SMN2 3741/4885RAB9A 3679/4885NPC1 159/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 SMN1; SMN2 4162/4885RAB9A 3036/4885NPC1 36/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SMN1; SMN2 3298/4885RAB9A 3384/4885NPC1 106/4885

“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.