SCHEMBL13623362

SCHEMBL13623362

C#CCCCOc1c(C)cc(C#N)cc1COC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 8/20 0.35
HPGD P15428 6/20 0.35
HSD17B10 Q99714 6/20 0.35
SCN8A Q9UQD0 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
GAA P10253 2/20 0.33
ALOX15 P16050 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL8137092 0.86 SCN8A (0.41) ALDH1A1KDM4ESCN8AMAOAMAOB
SCHEMBL8876567 0.80 SCN8A (0.39) ALDH1A1KDM4ESCN8AMAOAMAOB
SCHEMBL9523339 0.80 SCN8A (0.39) ALDH1A1KDM4ESCN8AMAOAMAOB
SCHEMBL13623359 0.75 NR1I2 (0.45) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL13623363 0.74 GAA (0.34) HSD17B10MAOAMAOBGAAALOX15
SCHEMBL9520675 0.71 MAOB (0.36) HPGDSCN8AMAOAMAOBMAPT
SCHEMBL13623355 0.70 TTR (0.42) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8552558 0.69 SCN8A (0.40) ALDH1A1SCN8AMAPTKMT2ACYP1A2
SCHEMBL8824523 0.68 SCN8A (0.37) ALDH1A1KDM4EHPGDHSD17B10SCN8A
SCHEMBL8824419 0.68 SCN8A (0.37) ALDH1A1KDM4EHPGDHSD17B10SCN8A

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-20090291990-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS RHODES GERALD 2009-11-26 US disclosed
US-7585884-B2 Oxadiazolyl-phenoxyalkylisoxazoles, compositions thereof and methods for their use as anti-picornaviral agents VIROPHARMA INCORPORATED (US) 2009-09-08 US disclosed
US-20080293783-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS VIROPHARMA INCORPORATED 2008-11-27 US disclosed
US-7429606-B2 Oxadiazolyl-phenoxyalkylisoxazoles, compositions thereof and methods for their use as anti-picornaviral agents VIROPHARMA INCORPORATED (US) 2008-09-30 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-20080293783-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS PLEC, CPSF7, CPSF1 ALDH1A1 1713/4885KDM4E 1708/4885HPGD 3790/4885
US-20090291990-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS PLEC, CPSF7, CPSF1 ALDH1A1 1713/4885KDM4E 1708/4885HPGD 3790/4885

“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.