SCHEMBL18529484

SCHEMBL18529484

O=C(Cn1cncn1)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK10 P53779 3/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.38

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
SCHEMBL30172138 0.86 LMNA (0.47) ALDH1A1KMT2ALMNAPKMMAPT
SCHEMBL14645540 0.86 LMNA (0.47) ALDH1A1KMT2ALMNAPKMMAPT
SCHEMBL18529459 0.81 KDM4E (0.50) GAANPSR1MAPK10KDM4EALDH1A1
SCHEMBL18529636 0.80 LMNA (0.44) ALDH1A1KMT2ALMNAPKMMAPT
SCHEMBL18529651 0.79 ALDH1A1 (0.48) GAANPSR1MAPK10KDM4EALDH1A1
SCHEMBL18529650 0.78 CYP3A4 (0.43) GAANPSR1MAPK10KDM4EALDH1A1
SCHEMBL19994248 0.77 LMNA (0.48) KDM4EALDH1A1LMNAPKMMAPT
SCHEMBL9518702 0.77 LMNA (0.56) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL29622955 0.77 LMNA (0.56) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL18529461 0.76 MEN1 (0.55) GAANPSR1MAPK10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 GAA 569/4885NPSR1 4187/4885MAPK10 3819/4885
US-20200095223-A1 NOVEL TRIAZOLETHIONE DERIVATIVES CYP51A1, SBK3, TST GAA 1518/4885NPSR1 3618/4885MAPK10 2984/4885

“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.