SCHEMBL525892

SCHEMBL525892

[CH2]c1cccc(F)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
TRPV4 Q9HBA0 1/20 0.37
GAA P10253 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
CUL4A Q13619 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
ADORA1 P30542 2/20 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
SCHEMBL2813660 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1KMT2AMAPT
SCHEMBL186269 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
Cyanide SCHEMBL28871133 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3228382 0.77 L3MBTL1 (0.31) L3MBTL1
SCHEMBL19062287 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2074858 0.74 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL186554 0.74 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL5546112 0.74 SMN1; SMN2 (0.40) ALDH1A1KDM4EL3MBTL1KMT2AMAPT
SCHEMBL16957365 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL286715 0.73 CYP1A2 (0.50) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11992012-B2 Diaminotriazine compounds BASF SE (DE) 2024-05-28 US disclosed
US-20210186021-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2021-06-24 US disclosed
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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
WO-2015048547-A2 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed
EP-2598483-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
WO-2012016217-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 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 (8 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 ALDH1A1 489/4885KDM4E 2561/4885HPGD 1015/4885
US-20210186021-A1 DIAMINOTRIAZINE COMPOUNDS DDT, DAZAP1, DDC ALDH1A1 991/4885KDM4E 1586/4885HPGD 1677/4885
US-11992012-B2 Diaminotriazine compounds DDT, DAZAP1, DDC ALDH1A1 991/4885KDM4E 1586/4885HPGD 1677/4885
US-10687533-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 ALDH1A1 489/4885KDM4E 2561/4885HPGD 1015/4885
US-10757941-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 ALDH1A1 476/4885KDM4E 2601/4885HPGD 1017/4885
US-20200267986-A1 Microbiocidal Oxadiazole Derivatives PRF1, NOX1, ARG1 ALDH1A1 489/4885KDM4E 2561/4885HPGD 1015/4885
US-20190090486-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 ALDH1A1 489/4885KDM4E 2561/4885HPGD 1015/4885
US-20190274304-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 ALDH1A1 476/4885KDM4E 2601/4885HPGD 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.