SCHEMBL1645112

SCHEMBL1645112

NS(=O)(=O)N1CCCCC1c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.70
CYP2C19 P33261 1/20 0.70
ALDH1A1 P00352 8/20 0.70
USP2 O75604 1/20 0.70
POLB P06746 2/20 0.62
CHRNB2 P17787 3/20 0.59
CHRNA7 P36544 3/20 0.59
CHRNA4 P43681 3/20 0.59
ADRB2 P07550 3/20 0.57
TSHR P16473 1/20 0.57
MAPT P10636 3/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
CHRNA2 Q15822 2/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
PSIP1 O75475 1/20 0.54
TRPA1 O75762 1/20 0.54
HTR3B O95264 1/20 0.54

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
SCHEMBL26465275 0.83 CYP3A4 (0.66) CYP3A4CYP2C19ALDH1A1USP2POLB
SCHEMBL24016026 0.83 CYP3A4 (0.66) CYP3A4CYP2C19ALDH1A1USP2POLB
SCHEMBL24015601 0.83 CYP3A4 (0.66) CYP3A4CYP2C19ALDH1A1USP2POLB
SCHEMBL396700 0.82 ALDH1A1 (1.00) CYP3A4CYP2C19ALDH1A1USP2POLB
SCHEMBL16268060 0.82 PSEN1 (0.61) CYP3A4CYP2C19ALDH1A1USP2POLB
SCHEMBL1645111 0.80 CYP3A4 (0.56) CYP3A4CYP2C19ALDH1A1USP2POLB
SCHEMBL5307006 0.80 CYP3A4 (0.80) CYP3A4CYP2C19ALDH1A1USP2POLB
SCHEMBL28211336 0.78 ALDH1A1 (0.46) CYP3A4CYP2C19ALDH1A1USP2POLB
SCHEMBL25587647 0.78 CYP3A4 (0.60) CYP3A4CYP2C19ALDH1A1USP2POLB
SCHEMBL25587644 0.78 CYP3A4 (0.60) CYP3A4CYP2C19ALDH1A1USP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 US disclosed
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 US disclosed
EP-2103623-A2 Novel macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2009-09-23 EP disclosed
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 US disclosed
EP-1924594-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2008-05-28 EP disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 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-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP3A4 826/4885CYP2C19 1733/4885ALDH1A1 2539/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS CYP3A4 826/4885CYP2C19 1733/4885ALDH1A1 2539/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP3A4 826/4885CYP2C19 1733/4885ALDH1A1 2539/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS CYP3A4 755/4885CYP2C19 1193/4885ALDH1A1 2173/4885

“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.