SCHEMBL10122823

SCHEMBL10122823

COC(=O)NC(Cc1nccn1C)C(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
FDPS P14324 2/20 0.37
OPRK1 P41145 1/20 0.36
MLYCD O95822 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
CBLB Q13191 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL888737 1.00 LMNA (0.41) LMNAFDPSOPRK1MLYCDMEN1
SCHEMBL19364781 0.88 LMNA (0.35) LMNAFDPSOPRK1MLYCDMEN1
SCHEMBL18117397 0.86 FDPS (0.38) LMNAFDPSOPRK1MEN1KMT2A
SCHEMBL690631 0.86 ITGA4 (0.43) LMNAFDPSOPRK1MEN1KMT2A
SCHEMBL14853086 0.86 FDPS (0.38) LMNAFDPSOPRK1MEN1KMT2A
SCHEMBL690630 0.86 ITGA4 (0.43) LMNAFDPSOPRK1MEN1KMT2A
SCHEMBL12841633 0.84 FDPS (0.37) LMNAFDPSOPRK1MLYCDMEN1
SCHEMBL8907899 0.83 FDPS (0.39) LMNAFDPSOPRK1MLYCDMEN1
SCHEMBL27980070 0.76 FDPS (0.41) LMNAFDPSOPRK1MLYCDMEN1
SCHEMBL25227617 0.75 KLK5 (0.43) FDPSITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 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 (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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 LMNA 3064/4885FDPS 868/4885OPRK1 1599/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 LMNA 2800/4885FDPS 331/4885OPRK1 1700/4885

“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.