SCHEMBL705941

SCHEMBL705941

Clc1ccc(-c2nnn[nH]2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.44
AHR P35869 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
GUSB P08236 1/20 0.41
ALPL P05186 2/20 0.41
MAPT P10636 2/20 0.40
CXCR2 P25025 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL5815364 0.85 ALDH1A1 (0.49) ALDH1A1MAPTCXCR2HPGDTP53
SCHEMBL2158308 0.82 CYP3A4 (0.41) ALDH1A1RAB9AKDM4EMGAMGAA
SCHEMBL14468900 0.82 NPC1 (0.37) HSD11B1ALDH1A1RAB9AMAPTCXCR2
SCHEMBL8103412 0.82 NPBWR1 (0.40) HSD11B1RAB9AHPGDNPC1SMN1; SMN2
SCHEMBL1197908 0.82 NOTUM (0.45) HSD11B1MAPTHPGDNPBWR1HSP90AB1
SCHEMBL1308358 0.82 IDO1 (0.41) ALDH1A1RAB9AKDM4EMGAMGAA
SCHEMBL3416087 0.82 IDO1 (0.32) HSD11B1CXCR2
SCHEMBL5676619 0.80 LMNA (0.40) HSD11B1ALDH1A1
SCHEMBL6816520 0.80 PRMT5 (0.36) KDM4EGAAMAPTHPGDKMT2A
SCHEMBL1463479 0.79 IDO1 (0.57) ALDH1A1HPGDTP53TSHRSMN1; SMN2

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 HSD11B1 735/4885AHR 2731/4885ALDH1A1 1465/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 HSD11B1 731/4885AHR 2675/4885ALDH1A1 1430/4885

“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.