SCHEMBL19042017

SCHEMBL19042017

C/C(=C\C(=O)N=[N+]=N)c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ LIPE Q05469 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PDE5A O76074 1/20 0.32

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
SCHEMBL16030242 0.91 KDM5A (0.35) KDM5AKDM2BKDM4CKDM5BADORA3
SCHEMBL16030244 0.91 KDM5A (0.35) KDM5AKDM2BKDM4CKDM5BADORA3
SCHEMBL16030240 0.91 KDM5A (0.35) KDM5AKDM2BKDM4CKDM5BADORA3
SCHEMBL16030211 0.85 NR4A1 (0.42) KDM5AKDM2BKDM4CKDM5BADORA3
SCHEMBL16030062 0.85 NR4A1 (0.42) KDM5AKDM2BKDM4CKDM5BADORA3
SCHEMBL16030063 0.85 NR4A1 (0.42) KDM5AKDM2BKDM4CKDM5BADORA3
SCHEMBL26649442 0.84 HDAC1 (0.37) KDM5AKDM2BKDM4CKDM5BLIPE
SCHEMBL16073139 0.81 MAPT (0.40) ADORA3LIPEBCHEACHEHDAC1
SCHEMBL16073140 0.81 MAPT (0.40) ADORA3LIPEBCHEACHEHDAC1
SCHEMBL16030301 0.81 TP53 (0.43) KDM5AKDM2BKDM4CKDM5BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 — — EP disclosed
US-20170183335-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-06-29 — — US 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 (1 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-20170183335-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD KDM5A 2182/4885KDM2B 1459/4885KDM4C 1864/4885

“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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