SCHEMBL5227940

SCHEMBL5227940

CN(C)c1ccc(-c2ccc(-c3c(C4CCCCC4)c4ccc(C(=O)O)cc4n3CC(=O)N3CCOCC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
NR1I2 O75469 1/20 0.41
SCN9A Q15858 4/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GRIN2B Q13224 2/20 0.37
MTHFD1 P11586 1/20 0.36
MTHFD2 P13995 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL5934718 0.91 NR1H4 (0.42) NR1I2SCN9AKMT2AKDM4EGRIN2B
SCHEMBL5198832 0.91 MAPK1 (0.42) PRKCAMMP12NR1I2SCN9AKDM4E
SCHEMBL5198409 0.91 GRIN2B (0.43) PRKCAMMP12NR1I2SCN9AGRIN2B
SCHEMBL5217612 0.90 SCN9A (0.41) PRKCAMMP12NR1I2SCN9AKDM4E
SCHEMBL5439046 0.89 PRKCA (0.44) PRKCAMMP12NR1I2SCN9AGRIN2B
SCHEMBL5198176 0.89 GRIN1 (0.46) SCN9AKMT2AKDM4EGRIN2BALDH1A1
SCHEMBL5452200 0.88 EGFR (0.43) PRKCAMMP12NR1I2SCN9AKDM4E
SCHEMBL5434937 0.88 PTGS2 (0.46) PRKCAMMP12SCN9AKMT2AKDM4E
SCHEMBL5252018 0.87 GRIN2B (0.47) PRKCAMMP12NR1I2SCN9AKDM4E
SCHEMBL5198064 0.87 SCN7A (0.43) PRKCAMMP12NR1I2SCN9AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO 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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 PRKCA 4500/4885MMP12 4114/4885NR1I2 95/4885

“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.