SCHEMBL13623359

SCHEMBL13623359

COCc1cc(C#N)cc(C)c1OCCCc1cc(C)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 10/20 0.34
HSD17B10 Q99714 5/20 0.34
ALDH1A1 P00352 9/20 0.34
HPGD P15428 6/20 0.34
IGF1R P08069 2/20 0.34
FGFR1 P11362 2/20 0.34
KDR P35968 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
INSR P06213 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL8128286 0.88 NR1I2 (0.55) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9208044 0.83 NR1I2 (0.50) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8876418 0.83 NR1I2 (0.50) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8129820 0.80 NR1I2 (0.44) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8134990 0.79 NR1I2 (0.47) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8875626 0.79 NR1I2 (0.45) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8132457 0.78 NR1I2 (0.40) NR1I2CYP3A4CYP2D6
SCHEMBL13623358 0.77 NR1I2 (0.45) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8120288 0.76 NR1I2 (0.67) NR1I2CYP3A4CYP2D6KDM4EHSD17B10
SCHEMBL8874236 0.75 MEN1 (0.42) NR1I2CYP3A4CYP2D6MEN1KMT2A

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 NR1I2 1884/4885CYP3A4 771/4885CYP2D6 2441/4885
US-20090291990-A1 OXADIAZOLYL-PHENOXYALKYLISOXAZOLES, COMPOSITIONS THEREOF AND METHODS FOR THEIR USE AS ANTI-PICORNAVIRAL AGENTS PLEC, CPSF7, CPSF1 NR1I2 1884/4885CYP3A4 771/4885CYP2D6 2441/4885

“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.