SCHEMBL18529461

SCHEMBL18529461

CC(=O)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPK10 P53779 9/20 0.52
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.47
LIPE Q05469 1/20 0.47
POLB P06746 1/20 0.45
MAPK8 P45983 3/20 0.44

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
SCHEMBL20471174 0.88 MAPT (0.47) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL21630295 0.87 MAPK10 (0.54) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL18529459 0.85 KDM4E (0.50) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL18529450 0.83 MEN1 (0.63) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL29741809 0.80 AR (0.54) MEN1KMT2AMAPK10MAPT
SCHEMBL14645660 0.80 AR (0.54) MEN1KMT2AMAPK10MAPT
SCHEMBL18499115 0.79 MEN1 (0.69) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL18529484 0.76 GAA (0.45) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL18529453 0.75 LIPE (0.44) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL21598904 0.74 MAPT (0.41) MEN1KMT2AALDH1A1GAANPSR1

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 14 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-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
EP-3519389-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2019-08-07 EP disclosed
US-20180235223-A1 TRIAZOLE DERIVATIVES, INTERMEDIATES THEREOF AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-08-23 US 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
WO-2018145933-A1 TRIAZOLETHIONE 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-2018060091-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO disclosed
WO-2018060091-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO 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 (3 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 MEN1 2803/4885KMT2A 2583/4885KDM4E 1718/4885
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C MEN1 3947/4885KMT2A 2015/4885KDM4E 608/4885
US-20200095223-A1 NOVEL TRIAZOLETHIONE DERIVATIVES CYP51A1, SBK3, TST MEN1 3447/4885KMT2A 3378/4885KDM4E 3224/4885

“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.