SCHEMBL704826

SCHEMBL704826

C#Cc1ccc(OC)cc1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
RUNX1 Q01196 1/20 0.46
NPY5R Q15761 1/20 0.44
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
SYK P43405 2/20 0.42
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 2/20 0.41
GRM5 P41594 2/20 0.41
HSP90AA1 P07900 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TGFBR1 P36897 2/20 0.41
FFAR1 O14842 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 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
SCHEMBL28372842 0.85 NPC1 (0.49) RAB9ANPC1RUNX1NPY5RCCR1
SCHEMBL29496943 0.78 SYK (0.56) RAB9ANPC1RUNX1NPY5RCCR1
SCHEMBL4780198 0.78 NPC1 (0.50) RAB9ANPC1RUNX1NPY5RCCR1
SCHEMBL6509933 0.78 GABRA3 (0.44) RAB9ANPC1CCR1CCR5CCR8
SCHEMBL28838408 0.77 RAB9A (0.49) RAB9ANPC1RUNX1NPY5RCCR1
SCHEMBL28371574 0.77 NPC1 (0.46) RAB9ANPC1RUNX1NPY5RCCR1
SCHEMBL12946320 0.76 SYK (0.50) RAB9ANPC1RUNX1NPY5RCCR1
SCHEMBL29978781 0.76 RAB9A (0.48) RAB9ANPC1RUNX1NPY5RCCR1
SCHEMBL6769901 0.76 KDM4E (0.50) RAB9ANPC1CCR1CCR5CCR8
SCHEMBL5379182 0.75 SYK (0.56) RAB9ANPC1RUNX1CCR1CCR5

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-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO 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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 RAB9A 3236/4885NPC1 172/4885RUNX1 4094/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 RAB9A 3162/4885NPC1 187/4885RUNX1 3956/4885

“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.