SCHEMBL10095656

SCHEMBL10095656

CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCN(C)CC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
ESR1 P03372 2/20 0.42
TNIK Q9UKE5 2/20 0.39
PGR P06401 4/20 0.39
NR3C1 P04150 3/20 0.39
NR3C2 P08235 3/20 0.39
AR P10275 3/20 0.39
KCNA5 P22460 2/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38
IKBKB O14920 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL10095655 0.93 LTA4H (0.53) LTA4HESR1PGRNR3C1NR3C2
SCHEMBL980986 0.92 LTA4H (0.45) LTA4HESR1NPC1RAB9AKDM4E
SCHEMBL10095659 0.92 LTA4H (0.45) LTA4HESR1PGRNR3C1NR3C2
SCHEMBL10097317 0.87 LTA4H (0.48) LTA4HESR1TNIKIKBKBSIGMAR1
SCHEMBL10095720 0.86 PGR (0.42) LTA4HESR1PGRNR3C1NR3C2
SCHEMBL12108770 0.86 PGR (0.42) LTA4HPGRNR3C1NR3C2AR
SCHEMBL979542 0.86 PGR (0.42) LTA4HESR1PGRNR3C1NR3C2
SCHEMBL10095605 0.86 PGR (0.45) PGRNR3C1NR3C2ARNPC1
SCHEMBL14205155 0.86 PGR (0.39) LTA4HESR1PGRNR3C1NR3C2
SCHEMBL14375943 0.85 NPC1 (0.42) LTA4HPGRNR3C1NR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US 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 (3 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 LTA4H 2553/4885ESR1 4533/4885TNIK 2299/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS LTA4H 714/4885ESR1 4618/4885TNIK 3405/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP LTA4H 1203/4885ESR1 4319/4885TNIK 2106/4885

“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.