Benzene

Benzene

SCHEMBL1904094

CC(=O)n1c(=O)c(-c2cccs2)nc2ccccc21.c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.53
KLK7 P49862 1/20 0.51
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 12/20 0.47
CASP1 P29466 10/20 0.45
CASP7 P55210 10/20 0.45
HSD17B10 Q99714 9/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
CYP1A2 P05177 10/20 0.45
USP2 O75604 8/20 0.45
HIF1A Q16665 8/20 0.45
HBB P68871 2/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2C9 P11712 4/20 0.45

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
SCHEMBL166859 0.80 ALDH1A1 (0.64) ADORA2AKLK7MEN1KMT2AKDM4E
SCHEMBL29419105 0.80 ALDH1A1 (0.64) ADORA2AKLK7MEN1KMT2AKDM4E
SCHEMBL15774206 0.79 ALDH1A1 (0.67) ADORA2AKLK7MEN1KMT2AKDM4E
SCHEMBL1963785 0.77 ADORA2A (0.55) ADORA2AKLK7MEN1KMT2AKDM4E
SCHEMBL12553801 0.72 ALDH1A1 (0.51) ADORA2AKLK7MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL167760 0.71 ALDH1A1 (0.50) ADORA2AKLK7MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL29419155 0.71 ALDH1A1 (0.50) ADORA2AKLK7MEN1KMT2AKDM4E
Acetic Acid SCHEMBL5912374 0.69 RPS6KB2 (0.51) ADORA2AMEN1KMT2AKDM4ENPC1
SCHEMBL1963097 0.69 ALDH1A1 (0.44) ADORA2AKLK7MEN1KMT2AKDM4E
SCHEMBL1963094 0.69 HSD17B10 (0.45) KLK7MEN1KMT2AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143727-B1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2015-01-21 EP disclosed
US-8236807-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-08-07 US disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS NAKAJIMA SUANNE 2010-01-21 US disclosed
EP-2143727-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2010-01-13 EP disclosed
EP-1615613-B1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2009-11-04 EP disclosed
US-7566719-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-20080152622-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC 2008-06-26 US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
EP-1615613-A4 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-02-14 EP disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-1615613-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2006-01-18 EP disclosed
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2004-12-30 US disclosed
WO-2004093798-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-11-04 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 (4 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-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN ADORA2A 3710/4885KLK7 1806/4885MEN1 3743/4885
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, CTSC ADORA2A 3761/4885KLK7 1832/4885MEN1 3710/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN ADORA2A 3710/4885KLK7 1806/4885MEN1 3743/4885
US-20080152622-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN ADORA2A 3710/4885KLK7 1806/4885MEN1 3743/4885

“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.