SCHEMBL703287

SCHEMBL703287

Clc1ccc(-c2nnn[nH]2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.48
NOTUM Q6P988 2/20 0.46
HRH1 P35367 1/20 0.42
CYP1B1 Q16678 1/20 0.42
IDO1 P14902 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
IKBKB O14920 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.40
KMO O15229 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL8217792 0.84 ESR2 (0.46) ADORA2AADORA1
SCHEMBL6788959 0.84 ALDH1A1 (0.45) MAPTALDH1A1IKBKBKDM4EKMO
SCHEMBL20339943 0.84 NPBWR1 (0.40) NOTUMALDH1A1IKBKBHPGDMEN1
SCHEMBL4083350 0.84 TSHR (0.39) NOTUMHRH1MAPTALDH1A1IKBKB
SCHEMBL4399156 0.84 ALDH1A1 (0.52) HRH1IDO1MAPTALDH1A1IKBKB
SCHEMBL23291740 0.84 KDM4E (0.33) AHRNOTUMHRH1MAPTKDM4E
SCHEMBL2227390 0.81 KMO (0.58) AHRNOTUMLMNAKMOHPGD
SCHEMBL20339909 0.80 HRH1 (0.31) HRH1
SCHEMBL23451486 0.80 NOTUM (0.56) NOTUM
SCHEMBL2679082 0.80 HRH1 (0.37) HRH1

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 14 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
US-20070021330-A1 Aza-peptide macrocyclic hepatitis c serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-01-25 US disclosed
US-7125845-B2 Aza-peptide macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2006-10-24 US disclosed
US-20060211739-A1 Use of selective P2X7 receptor antagonists ABBOTT LABORATORIES 2006-09-21 US disclosed
WO-2006086229-A1 THE USE OF SELECTIVE P2X7 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2006-08-17 WO 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
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-03-24 US disclosed
WO-2005010029-A1 AZA-PEPTIDE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2005-02-03 WO 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 (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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 AHR 2731/4885NOTUM 784/4885HRH1 3495/4885
US-20070021330-A1 Aza-peptide macrocyclic hepatitis c serine protease inhibitors VIP, CTSC, DPP4 AHR 3695/4885NOTUM 1810/4885HRH1 3907/4885
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors VIP, CTSC, PRSS1 AHR 3791/4885NOTUM 1601/4885HRH1 3754/4885
US-20060211739-A1 Use of selective P2X7 receptor antagonists P2RX1, P2RX3, P2RX7 AHR 868/4885NOTUM 4789/4885HRH1 523/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 AHR 2675/4885NOTUM 868/4885HRH1 3670/4885

“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.