SCHEMBL10097258

SCHEMBL10097258

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.52
GRIK1 P39086 1/20 0.52
MAOA P21397 4/20 0.43
MAOB P27338 2/20 0.43
ESR1 P03372 3/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.40
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NCOA3 Q9Y6Q9 2/20 0.40
PABPC1 P11940 1/20 0.40
CASP3 P42574 1/20 0.40
NCOA1 Q15788 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL10191026 0.94 GRIK2 (0.47) GRIK2GRIK1MAOAMAOBESR1
SCHEMBL979587 0.93 GRIK2 (0.52) GRIK2GRIK1MAOAMAOBESR1
SCHEMBL10095252 0.90 GRIK2 (0.60) GRIK2GRIK1MAOAMAOBMEN1
SCHEMBL2881906 0.85 KDM4E (0.41) GRIK2GRIK1ESR1MEN1KMT2A
SCHEMBL10097250 0.85 KDM4E (0.41) GRIK2GRIK1MAOAESR1MEN1
SCHEMBL980966 0.85 GRIK2 (0.47) GRIK2GRIK1MAOAESR1MEN1
SCHEMBL10097251 0.85 ALDH1A1 (0.49) GRIK2MAOAESR1MEN1KMT2A
SCHEMBL10097238 0.84 GRIK2 (0.56) GRIK2GRIK1MAOAMAOBMEN1
SCHEMBL10097244 0.84 GRIK2 (0.50) GRIK2GRIK1MAOAMAOBMEN1
SCHEMBL10095470 0.83 GRIK2 (0.59) GRIK2GRIK1MEN1KMT2AKDM4E

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 3 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
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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 GRIK2 4399/4885GRIK1 4352/4885MAOA 732/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885MAOA 1660/4885

“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.