SCHEMBL10095404

SCHEMBL10095404

CCn1c(C#Cc2cccc(NS(C)(=O)=O)c2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.42
HSP90AB1 P08238 4/20 0.42
PGR P06401 6/20 0.39
NR3C1 P04150 5/20 0.39
NR3C2 P08235 5/20 0.39
AR P10275 4/20 0.39
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
SENP6 Q9GZR1 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
SCHEMBL10095406 0.93 MAPK1 (0.39) HSP90AA1HSP90AB1ARMAPK1ALDH1A1
SCHEMBL10095407 0.90 ALDH1A1 (0.38) HSP90AA1HSP90AB1PGRNR3C1NR3C2
SCHEMBL981984 0.90 PGR (0.43) HSP90AA1HSP90AB1PGRNR3C1NR3C2
SCHEMBL10095434 0.88 KDM4E (0.39) MAPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10095419 0.87 KDM4E (0.40) MAPK1ALDH1A1PKMTSHRLMNA
SCHEMBL13151715 0.87 ALDH1A1 (0.41) HSP90AA1HSP90AB1PGRNR3C1NR3C2
SCHEMBL10095427 0.85 MCHR1 (0.43) MAPK1ALDH1A1PKMTSHRLMNA
SCHEMBL10095325 0.85 TDP1 (0.46) MAPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10095405 0.85 MCHR1 (0.47) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL979640 0.83 MTNR1B (0.44) ALDH1A1PKMTSHRLMNAMEN1

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-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-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-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 HSP90AA1 1432/4885HSP90AB1 1514/4885PGR 4483/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS HSP90AA1 369/4885HSP90AB1 258/4885PGR 3811/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP HSP90AA1 148/4885HSP90AB1 66/4885PGR 3813/4885

“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.