SCHEMBL10191026

SCHEMBL10191026

CCn1c(-c2ccc(C#Cc3ccc(OC)cc3)cc2)c(C#N)c2ccc(O)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.47
GRIK1 P39086 1/20 0.47
APP P05067 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.42
ESR1 P03372 3/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PDE4D Q08499 2/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 3/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NCOA3 Q9Y6Q9 2/20 0.37
PABPC1 P11940 1/20 0.37
CASP3 P42574 1/20 0.37
NCOA1 Q15788 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL10097258 0.94 GRIK2 (0.52) GRIK2GRIK1L3MBTL1ESR1MAOA
SCHEMBL10191023 0.88 ALDH1A1 (0.43) GRIK2L3MBTL1ESR1MEN1KMT2A
SCHEMBL979587 0.88 GRIK2 (0.52) GRIK2GRIK1L3MBTL1ESR1MAOA
SCHEMBL10191034 0.87 ESR1 (0.39) L3MBTL1ESR1MAOAMEN1KMT2A
SCHEMBL10095426 0.87 APP (0.46) GRIK2GRIK1APPL3MBTL1MEN1
SCHEMBL10095252 0.85 GRIK2 (0.60) GRIK2GRIK1L3MBTL1MAOAMAOB
SCHEMBL10251572 0.85 GRIK2 (0.46) GRIK2GRIK1APPL3MBTL1ESR1
SCHEMBL10191022 0.84 KIF11 (0.40) L3MBTL1ESR1MEN1KMT2AKDM4E
SCHEMBL10095297 0.81 GRIK2 (0.52) GRIK2GRIK1L3MBTL1ESR1MAOA
SCHEMBL10191021 0.81 KDM4E (0.38) GRIK2L3MBTL1ESR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 GRIK2 4399/4885GRIK1 4352/4885APP 4711/4885

“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.