SCHEMBL10095658

SCHEMBL10095658

CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(-c4cccc(OC)c4)ccc3n2CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
MTNR1A P48039 2/20 0.45
MAPT P10636 6/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HCRTR1 O43613 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL10095681 0.94 GRIK2 (0.49) MTNR1BNPC1MAPK1HTTMTNR1A
SCHEMBL10095662 0.93 MAPT (0.43) MTNR1BNPC1MAPK1HTTMTNR1A
SCHEMBL981888 0.89 MAPK1 (0.48) MTNR1BNPC1MAPK1HTTMTNR1A
SCHEMBL10095684 0.87 GRIK2 (0.46) MTNR1BNPC1MAPK1HTTMTNR1A
SCHEMBL10095685 0.87 GRIK2 (0.45) MTNR1BNPC1MAPK1HTTMTNR1A
SCHEMBL13152139 0.87 MTNR1B (0.48) MTNR1BNPC1MAPK1HTTMTNR1A
SCHEMBL10095614 0.86 ALDH1A1 (0.43) NPC1MAPK1HTTMAPTLMNA
SCHEMBL10095942 0.86 GRIK2 (0.54) MTNR1BNPC1MAPK1HTTMTNR1A
SCHEMBL10095683 0.84 GRIK2 (0.43) MTNR1BNPC1MAPK1HTTMTNR1A
SCHEMBL10095682 0.83 GRIK2 (0.45) MTNR1BNPC1MTNR1AMAPTLMNA

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 MTNR1B 269/4885NPC1 2173/4885MAPK1 3303/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MTNR1B 489/4885NPC1 297/4885MAPK1 4384/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MTNR1B 827/4885NPC1 514/4885MAPK1 3869/4885

“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.