SCHEMBL789183

SCHEMBL789183

CC(C)Oc1nc2cc(OC(F)(F)F)ccc2nc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SCN4A P35499 2/20 0.39
SCN9A Q15858 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
SLC6A2 P23975 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL789107 1.00 SCN10A (0.39) SCN10ANPC1RAB9ALMNASMN1; SMN2
SCHEMBL10111820 0.85 SCN10A (0.40) SCN10ANPC1RAB9ALMNASMN1; SMN2
SCHEMBL804850 0.85 SCN10A (0.40) SCN10ANPC1RAB9ALMNASMN1; SMN2
SCHEMBL789146 0.83 ALDH1A1 (0.51) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL789184 0.83 ALDH1A1 (0.51) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL20248300 0.82 DHFR (0.42) SCN10ANPC1RAB9ALMNASMN1; SMN2
SCHEMBL788374 0.81 KDM4E (0.45) SCN10ASCN4APDE2AKDM4EMEN1
SCHEMBL789144 0.81 KDM4E (0.45) SCN10ASCN4APDE2AKDM4EMEN1
SCHEMBL789176 0.79 KDM4E (0.41) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL789356 0.79 KDM4E (0.41) NPC1RAB9ASMN1; SMN2TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2020-08-27 US disclosed
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
US-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2017-03-30 US disclosed
US-9220748-B2 Macrocyclic proline derived HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 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 (5 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-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD SCN10A 3186/4885NPC1 267/4885RAB9A 3152/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD SCN10A 3186/4885NPC1 267/4885RAB9A 3152/4885
US-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD SCN10A 3186/4885NPC1 267/4885RAB9A 3152/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD SCN10A 3186/4885NPC1 267/4885RAB9A 3152/4885
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD SCN10A 3186/4885NPC1 267/4885RAB9A 3152/4885

“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.