SCHEMBL10271356

SCHEMBL10271356

O=C1CCCc2cc3ccc(C(F)(F)F)cc3nc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ HPD P32754 2/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KIF11 P52732 3/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PFKFB3 Q16875 1/20 0.34

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
SCHEMBL15155336 0.81 KMT2A (0.40) KDM4EMAOAMAOBBACE1KMT2A
SCHEMBL10286621 0.78 ALDH1A1 (0.43) KDM4EMAOAMAOBMEN1KMT2A
SCHEMBL10286521 0.78 KDM4E (0.39) KDM4EMAOAMAOBMEN1KMT2A
SCHEMBL882702 0.75 MAPT (0.47) KDM4EMAOAMAOBMEN1KMT2A
SCHEMBL31180494 0.75 MAPT (0.47) KDM4EMAOAMAOBMEN1KMT2A
SCHEMBL10286531 0.72 PDE3B (0.41) KDM4EMAOAMAOBBACE1KMT2A
SCHEMBL10286610 0.71 MAOA (0.34) KDM4EMAOAMAOBMEN1KMT2A
SCHEMBL9024341 0.70 PARP1 (0.57) HPDMAOAMAOBPIM1PIM3
SCHEMBL30934632 0.70 PARP1 (0.57) HPDMAOAMAOBPIM1PIM3
SCHEMBL5109850 0.70 MAOB (0.62) HPDMAOAMAOBPIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 — — US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 — — US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 — — US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 — — US disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 — — WO disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 — — 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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO KDM4E 1075/4885HPD 89/4885MAOA 334/4885
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT KDM4E 428/4885HPD 40/4885MAOA 521/4885

“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.

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