SCHEMBL10096271

SCHEMBL10096271

COc1ccc2c(C#N)c(-c3ccc(NC(=O)C4CC4)cc3)n(CC3CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
NSD2 O96028 1/20 0.45
DOT1L Q8TEK3 1/20 0.45
AS3MT Q9HBK9 1/20 0.45
TP53 P04637 5/20 0.44
KMT2A Q03164 2/20 0.43
KIT P10721 1/20 0.41
TNKS O95271 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL10095321 0.91 MTNR1A (0.47) MTNR1AMTNR1BNSD2DOT1LAS3MT
SCHEMBL10096273 0.88 NSD2 (0.44) MTNR1AMTNR1BNSD2DOT1LAS3MT
SCHEMBL10095949 0.88 KDM4E (0.45) MTNR1AMTNR1BKMT2AKITKDM4E
SCHEMBL13152485 0.87 MTNR1A (0.48) MTNR1AMTNR1BTP53KMT2ACNR2
SCHEMBL10096275 0.87 NSD2 (0.43) NSD2DOT1LAS3MTKMT2ACNR2
SCHEMBL10096277 0.87 NPC1 (0.45) NSD2DOT1LAS3MTTP53KMT2A
SCHEMBL10096274 0.86 NSD2 (0.42) MTNR1BNSD2DOT1LAS3MTTP53
SCHEMBL10095448 0.84 GRIK2 (0.49) MTNR1AMTNR1BNSD2DOT1LAS3MT
SCHEMBL10095786 0.84 HSP90AA1 (0.39) NSD2DOT1LAS3MTKMT2ACNR2
SCHEMBL10095783 0.83 CYP11B2 (0.41) NSD2DOT1LAS3MTKMT2ACNR2

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 14 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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 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-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS MTNR1A 1243/4885MTNR1B 1364/4885NSD2 3927/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MTNR1A 2303/4885MTNR1B 2599/4885NSD2 3223/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MTNR1A 2303/4885MTNR1B 2599/4885NSD2 3223/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MTNR1A 908/4885MTNR1B 827/4885NSD2 3529/4885

“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.