SCHEMBL18233018

SCHEMBL18233018

CC(C)(C)NC(=O)Nc1c[nH]c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ JAK2 O60674 1/20 0.39
▸ MAPK1 P28482 1/20 0.36
▸ MAPK14 Q16539 5/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ PDGFRA P16234 1/20 0.34

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
SCHEMBL18233027 0.81 MAPK14 (0.54) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL17849580 0.74 MEN1 (0.60) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18407326 0.72 IMPDH2 (0.38) MEN1KMT2AHTTJAK2MAPT
SCHEMBL13756247 0.72 RAB9A (0.81) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18232978 0.70 HTT (0.41) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL21116152 0.68 HTT (0.61) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13141239 0.68 NPC1 (0.68) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18232977 0.68 NPC1 (0.45) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL9285165 0.67 NPC1 (0.67) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18232989 0.67 HDAC3 (0.57) NPC1RAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738035-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-08-11 — — US disclosed
US-10301255-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-05-28 — — US disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 — — US disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 — — US disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 — — 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 (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-10301255-B2 Hepatitis B antiviral agents HAVCR2, ZC3HAV1, SLC10A1 NPC1 607/4885RAB9A 1332/4885MEN1 4464/4885
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 NPC1 607/4885RAB9A 1332/4885MEN1 4464/4885
US-10738035-B2 Hepatitis B antiviral agents ZC3HAV1, ZC3HAV1L, HAVCR2 NPC1 472/4885RAB9A 1062/4885MEN1 4133/4885
US-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 NPC1 472/4885RAB9A 1062/4885MEN1 4133/4885

“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.

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