SCHEMBL10095429

SCHEMBL10095429

CCn1c(C#Cc2cccc(NC(=O)C3CCC3)c2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 3/20 0.40
TSHR P16473 1/20 0.40
MCHR1 Q99705 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
PAX8 Q06710 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MGLL Q99685 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL10095416 0.97 HCRTR1 (0.43) HCRTR1HCRTR2ALDH1A1KMT2AKDM4E
SCHEMBL10095366 0.91 MEN1 (0.43) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL13151697 0.89 ALDH1A1 (0.42) HCRTR1HCRTR2ALDH1A1KMT2AKDM4E
SCHEMBL984224 0.88 MTNR1A (0.45) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL10095427 0.87 MCHR1 (0.43) HCRTR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL10095405 0.87 MCHR1 (0.47) HCRTR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL10095428 0.85 ALDH1A1 (0.43) HCRTR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL979640 0.85 MTNR1B (0.44) HCRTR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL10095408 0.85 MCHR1 (0.42) HCRTR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL13151698 0.85 MTNR1A (0.44) ALDH1A1KMT2AKDM4EMEN1MAPT

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 HCRTR1 640/4885HCRTR2 1014/4885ALDH1A1 1556/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS HCRTR1 1415/4885HCRTR2 1950/4885ALDH1A1 591/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP HCRTR1 3181/4885HCRTR2 3973/4885ALDH1A1 1067/4885

“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.