SCHEMBL8908911

SCHEMBL8908911

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
FDPS P14324 1/20 0.48
FFAR2 O15552 1/20 0.47
TSHR P16473 1/20 0.47
NAMPT P43490 2/20 0.47
PKM P14618 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HIF1A Q16665 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL13898497 0.85 NPC1 (0.51) NPC1RAB9ASMN1; SMN2FDPSTSHR
SCHEMBL2159082 0.83 FDPS (0.51) NPC1RAB9ASMN1; SMN2FDPSFFAR2
SCHEMBL890100 0.83 FDPS (0.51) NPC1RAB9ASMN1; SMN2FDPSFFAR2
SCHEMBL753183 0.83 FDPS (0.51) NPC1RAB9ASMN1; SMN2FDPSFFAR2
SCHEMBL8913509 0.83 FDPS (0.51) NPC1RAB9ASMN1; SMN2FDPSFFAR2
SCHEMBL2159076 0.83 FDPS (0.51) NPC1RAB9ASMN1; SMN2FDPSFFAR2
SCHEMBL8910369 0.81 BCAT2 (0.37) NPC1RAB9ASMN1; SMN2FFAR2TSHR
SCHEMBL8917351 0.79 RAB9A (0.48) NPC1RAB9ASMN1; SMN2FDPSFFAR2
SCHEMBL19364701 0.79 FDPS (0.48) NPC1RAB9ASMN1; SMN2FDPSFFAR2
SCHEMBL2336932 0.76 FDPS (0.50) NPC1RAB9ASMN1; SMN2FDPSTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US 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
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

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

For each of this compound's patents that has machine-readable text (6 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 NPC1 36/4885RAB9A 3036/4885SMN1; SMN2 4162/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 NPC1 159/4885RAB9A 3679/4885SMN1; SMN2 3741/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 NPC1 36/4885RAB9A 3036/4885SMN1; SMN2 4162/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 NPC1 106/4885RAB9A 3384/4885SMN1; SMN2 3298/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 NPC1 273/4885RAB9A 3788/4885SMN1; SMN2 3515/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L NPC1 162/4885RAB9A 3990/4885SMN1; SMN2 3511/4885

“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.