SCHEMBL12468522

SCHEMBL12468522

CN(C)C(=O)c1cc(-c2ccccc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EGFR P00533 1/20 0.44
CTSA P10619 2/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
PLAU P00749 1/20 0.42
KMO O15229 1/20 0.42
HDAC1 Q13547 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 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
SCHEMBL25253968 0.87 CNR2 (0.51) CNR2KDM4EALDH1A1EGFRCTSA
SCHEMBL30274913 0.80 ALDH1A1 (0.57) CNR2SMN1; SMN2ALDH1A1EGFRCTSA
SCHEMBL27882253 0.80 EGFR (0.50) KMT2AKDM4EALDH1A1EGFRCTSA
SCHEMBL725162 0.80 KMO (0.62) SMN1; SMN2KDM4EALDH1A1EGFRPLAU
SCHEMBL25567895 0.78 CNR2 (0.44) CNR2SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL30423961 0.78 CNR2 (0.44) CNR2SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL22554145 0.77 CYP11B2 (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL30731179 0.77 CYP11B2 (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17819893 0.77 FTO (0.67) KDM4EALDH1A1
SCHEMBL1938476 0.77 KMO (0.68) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1

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-20110182854-A1 HCV PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2011-07-28 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-20110182854-A1 HCV PROTEASE INHIBITORS SERPINB1, CTSC, HPN CNR2 4471/4885SMN1; SMN2 4263/4885RAB9A 2089/4885

“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.