SCHEMBL804844

SCHEMBL804844

COc1nc2cc(OC(F)(F)F)ccc2nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
NQO2 P16083 1/20 0.44
GAA P10253 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL10111472 1.00 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL804850 0.84 SCN10A (0.40) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL10111820 0.84 SCN10A (0.40) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL804719 0.84 KDM4E (0.61) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL15870612 0.84 KDM4E (0.61) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL14473949 0.80 NPC1 (0.43) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL14473943 0.80 NPC1 (0.43) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL10111749 0.78 KDM4E (0.50) RAB9AKDM4EPDE10APDE2ACRHR1
SCHEMBL10111725 0.78 KDM4E (0.50) RAB9AKDM4EPDE10APDE2ACRHR1
SCHEMBL7940431 0.77 PDE10A (0.40) SMN1; SMN2NPC1RAB9ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 SMN1; SMN2 3187/4885NPC1 267/4885RAB9A 3152/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD SMN1; SMN2 3187/4885NPC1 267/4885RAB9A 3152/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD SMN1; SMN2 3187/4885NPC1 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.