SCHEMBL20838005

SCHEMBL20838005

[CH2]Cc1cccc(F)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CXCR2 P25025 3/20 0.36
IDO1 P14902 2/20 0.35
HTR2A P28223 2/20 0.35
DRD2 P14416 1/20 0.35
HRH1 P35367 1/20 0.35
HSD11B1 P28845 2/20 0.34
LRRK2 Q5S007 1/20 0.34
CYP2A13 Q16696 1/20 0.33

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
SCHEMBL24872545 0.83 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10891656 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL16949914 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL16680739 0.80 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7861381 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL16953179 0.80 S1PR1 (0.42) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL12648426 0.80 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL186269 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL13780122 0.77 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL22006048 0.76 ACHE (0.47) KDM4EALDH1A1HPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10959432-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-03-30 US disclosed
US-10757941-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-09-01 US disclosed
US-20200267986-A1 Microbiocidal Oxadiazole Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-08-27 US disclosed
US-10687533-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-06-23 US disclosed
EP-3439477-B1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 EP disclosed
US-20190274304-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 US disclosed
US-20190090486-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-03-28 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 (6 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-10959432-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 KDM4E 2561/4885ALDH1A1 489/4885HPGD 1015/4885
US-10687533-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 KDM4E 2561/4885ALDH1A1 489/4885HPGD 1015/4885
US-10757941-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 KDM4E 2601/4885ALDH1A1 476/4885HPGD 1017/4885
US-20200267986-A1 Microbiocidal Oxadiazole Derivatives PRF1, NOX1, ARG1 KDM4E 2561/4885ALDH1A1 489/4885HPGD 1015/4885
US-20190090486-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 KDM4E 2561/4885ALDH1A1 489/4885HPGD 1015/4885
US-20190274304-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 KDM4E 2601/4885ALDH1A1 476/4885HPGD 1017/4885

“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.