SCHEMBL8917351

SCHEMBL8917351

CCC(=O)[C@@H](Nc1cccnc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FDPS P14324 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
FFAR2 O15552 1/20 0.44
PKM P14618 3/20 0.43
HTT P42858 2/20 0.43
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL13901972 0.85 RAB9A (0.50) RAB9ANPC1MEN1KMT2AFDPS
SCHEMBL2159082 0.83 FDPS (0.51) RAB9ANPC1MEN1KMT2AFDPS
SCHEMBL890100 0.83 FDPS (0.51) RAB9ANPC1MEN1KMT2AFDPS
SCHEMBL753183 0.83 FDPS (0.51) RAB9ANPC1MEN1KMT2AFDPS
SCHEMBL8913509 0.83 FDPS (0.51) RAB9ANPC1MEN1KMT2AFDPS
SCHEMBL2159076 0.83 FDPS (0.51) RAB9ANPC1MEN1KMT2AFDPS
SCHEMBL8921088 0.81 MEN1 (0.37) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL8908911 0.79 NPC1 (0.49) RAB9ANPC1MEN1KMT2AFDPS
SCHEMBL19364701 0.79 FDPS (0.48) RAB9ANPC1MEN1KMT2AFDPS
SCHEMBL12467326 0.75 CYP3A4 (0.55) MEN1KMT2ALMNAHTTMAPT

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
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 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
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 RAB9A 3384/4885NPC1 106/4885MEN1 4836/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 RAB9A 3788/4885NPC1 273/4885MEN1 4801/4885

“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.