SCHEMBL10097607

SCHEMBL10097607

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
PFKFB2 O60825 1/20 0.41
NSD2 O96028 1/20 0.41
PFKFB1 P16118 1/20 0.41
PFKFB3 Q16875 1/20 0.41
DOT1L Q8TEK3 1/20 0.41
AS3MT Q9HBK9 1/20 0.41
RORC P51449 1/20 0.41
HPGD P15428 4/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL10256084 0.93 MAPT (0.50) MTNR1AMTNR1BMAPTKDM4EKMT2A
SCHEMBL10097656 0.92 PFKFB2 (0.48) MTNR1AMTNR1BMAPTKDM4EKMT2A
SCHEMBL13152055 0.92 MTNR1A (0.46) MTNR1AMTNR1BMAPTKDM4EKMT2A
SCHEMBL13153378 0.91 NPC1 (0.42) MTNR1AMTNR1BMAPTKDM4EKMT2A
SCHEMBL10252798 0.90 MAPT (0.46) MTNR1AMTNR1BMAPTKDM4EKMT2A
SCHEMBL10097782 0.87 L3MBTL1 (0.42) MTNR1AMTNR1BMAPTKDM4EKMT2A
SCHEMBL13152174 0.87 L3MBTL1 (0.42) MTNR1AMTNR1BMAPTKDM4EKMT2A
SCHEMBL10095349 0.87 PFKFB2 (0.46) MTNR1AMTNR1BMAPTKDM4EKMT2A
SCHEMBL13152172 0.87 MAPT (0.44) MTNR1AMTNR1BMAPTKDM4EKMT2A
SCHEMBL10249955 0.85 MTNR1A (0.46) MTNR1AMTNR1BMAPTKDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MTNR1A 555/4885MTNR1B 489/4885MAPT 4416/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MTNR1A 908/4885MTNR1B 827/4885MAPT 4044/4885

“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.