SCHEMBL10095321

SCHEMBL10095321

CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
KIT P10721 1/20 0.44
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PFKFB1 P16118 2/20 0.41
PFKFB3 Q16875 2/20 0.41
PFKFB2 O60825 1/20 0.41

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
SCHEMBL10095949 0.96 KDM4E (0.45) MTNR1AMTNR1BKITHPGDMEN1
SCHEMBL10095448 0.93 GRIK2 (0.49) MTNR1AMTNR1BKITHPGDMEN1
SCHEMBL980476 0.92 LMNA (0.46) KITMEN1KMT2AALDH1A1HSD17B10
SCHEMBL10096271 0.91 MTNR1A (0.45) MTNR1AMTNR1BKITHPGDMEN1
SCHEMBL10097260 0.90 CDC25A (0.45) MTNR1AMTNR1BHPGDMEN1KMT2A
SCHEMBL981877 0.89 KIT (0.39) KITKMT2AALDH1A1MAPTRAB9A
SCHEMBL10095989 0.89 GRIK2 (0.47) MTNR1AMTNR1BKITHPGDMEN1
SCHEMBL10095715 0.89 PFKFB3 (0.42) KITKMT2AALDH1A1MAPTPFKFB1
SCHEMBL12107157 0.89 HTT (0.45) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10097246 0.89 PFKFB2 (0.47) MTNR1AMTNR1BHPGDMEN1KMT2A

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 12 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-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-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 MTNR1A 198/4885MTNR1B 269/4885KIT 4488/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MTNR1A 555/4885MTNR1B 489/4885KIT 3397/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MTNR1A 908/4885MTNR1B 827/4885KIT 3684/4885

“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.