SCHEMBL10095366

SCHEMBL10095366

CCn1c(C#Cc2ccc(NC(=O)C3CCC3)cc2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
KIT P10721 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PFKFB3 Q16875 2/20 0.40
PFKFB2 O60825 1/20 0.40
NSD2 O96028 1/20 0.40
PFKFB1 P16118 1/20 0.40
DOT1L Q8TEK3 1/20 0.40
AS3MT Q9HBK9 1/20 0.40
ENPP3 O14638 1/20 0.39
ENPP1 P22413 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
SCHEMBL984224 0.97 MTNR1A (0.45) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL10095429 0.91 HCRTR1 (0.44) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL10249312 0.88 MTNR1A (0.42) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL10095374 0.88 PFKFB3 (0.53) PFKFB3PFKFB2PFKFB1
SCHEMBL10095416 0.87 HCRTR1 (0.43) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL10095390 0.87 SMN1; SMN2 (0.41) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL982903 0.87 PFKFB1 (0.44) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL10095322 0.86 PFKFB2 (0.47) MEN1KMT2AKDM4EMAPTMTNR1A
SCHEMBL10095949 0.85 KDM4E (0.45) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL982113 0.85 SMN1; SMN2 (0.45) MEN1KMT2AKDM4EMAPTNPC1

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 MEN1 4550/4885KMT2A 1335/4885KDM4E 433/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MEN1 4815/4885KMT2A 3974/4885KDM4E 3703/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MEN1 4860/4885KMT2A 4114/4885KDM4E 4208/4885

“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.