SCHEMBL18529459

SCHEMBL18529459

O=C(CCl)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK10 P53779 8/20 0.48
MCOLN3 Q8TDD5 1/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.43
LIPE Q05469 1/20 0.43
MAPK8 P45983 3/20 0.41

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
SCHEMBL18529461 0.85 MEN1 (0.55) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL18529484 0.81 GAA (0.45) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL18529450 0.79 MEN1 (0.63) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL21630293 0.78 MAPK10 (0.53) KDM4EGAAALDH1A1NPSR1MAPK10
SCHEMBL18499115 0.75 MEN1 (0.69) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL18529456 0.75 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2AMAPK10
SCHEMBL18529463 0.74 ALDH1A1 (0.51) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL20471174 0.73 MAPT (0.47) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL21630295 0.72 MAPK10 (0.54) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL12132735 0.72 ALDH1A1 (0.61) KDM4EALDH1A1MAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137538-B Triazole derivatives, intermediates thereof and their use as fungicides 拜耳作物科学股份公司 2021-02-26 CN disclosed
US-20200095223-A1 NOVEL TRIAZOLETHIONE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-03-26 US disclosed
US-20200095223-A1 NOVEL TRIAZOLETHIONE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-03-26 US disclosed
US-20180235223-A1 TRIAZOLE DERIVATIVES, INTERMEDIATES THEREOF AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-08-23 US disclosed
WO-2018145933-A1 TRIAZOLETHIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2018-08-16 WO disclosed
WO-2018145921-A1 COMPOSITION FOR CONTROLLING HARMFUL MICROORGANISMS COMPRISING 1 -(PHENOXY-PYRIDINYL)-2-(1,2,4-TRIAZOL-1 -YL)-ETHANOL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2018-08-16 WO disclosed
EP-3334718-A1 TRIAZOLE DERIVATIVES, INTERMEDIATES THEREOF AND THEIR USE AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-06-20 EP disclosed
WO-2017029179-A1 TRIAZOLE DERIVATIVES, INTERMEDIATES THEREOF AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-23 WO disclosed
WO-2017029179-A1 TRIAZOLE DERIVATIVES, INTERMEDIATES THEREOF AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-23 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 (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-20180235223-A1 TRIAZOLE DERIVATIVES, INTERMEDIATES THEREOF AND THEIR USE AS FUNGICIDES CYP51A1, ERG28, CYP4Z1 KDM4E 1718/4885GAA 569/4885ALDH1A1 2487/4885
US-20200095223-A1 NOVEL TRIAZOLETHIONE DERIVATIVES CYP51A1, SBK3, TST KDM4E 3224/4885GAA 1518/4885ALDH1A1 2782/4885

“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.