SCHEMBL17457644

SCHEMBL17457644

COc1ccccc1-c1cc(C(=O)N(C(C)=O)c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.40
▸ SCN9A Q15858 5/20 0.40
▸ KCNH2 Q12809 1/20 0.37
▸ LIPE Q05469 1/20 0.35
▸ JUN P05412 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ MCHR1 Q99705 1/20 0.33

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
SCHEMBL17457615 0.90 ABL1 (0.40) ABL1SCN9AKCNH2LIPEMCHR1
SCHEMBL17466557 0.89 ABL1 (0.38) ABL1SCN9AKCNH2LIPEJUN
SCHEMBL17457636 0.88 ABL1 (0.38) ABL1SCN9AKCNH2LIPEMCHR1
SCHEMBL17466558 0.87 ABL1 (0.40) ABL1SCN9AKCNH2JUNMAPK10
SCHEMBL17457651 0.86 ABL1 (0.37) ABL1SCN9AKCNH2
SCHEMBL17466556 0.85 ORAI1 (0.37) ABL1SCN9AKCNH2LIPEJUN
SCHEMBL17466559 0.85 ABL1 (0.38) ABL1SCN9AKCNH2LIPEJUN
SCHEMBL17457625 0.84 ABL1 (0.58) ABL1KCNH2
SCHEMBL17457610 0.81 ABL1 (0.43) ABL1KCNH2
SCHEMBL17457659 0.80 LIPE (0.40) ABL1SCN9AKCNH2LIPEJUN

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
EP-3174392-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-03-18 — — EP disclosed
EP-3174392-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2017-06-07 — — EP disclosed
US-9550739-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-01-24 — — US disclosed
US-9550739-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-01-24 — — US disclosed
US-9550739-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-01-24 — — US disclosed
WO-2016018872-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-02-04 — — WO disclosed
WO-2016018872-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-02-04 — — WO disclosed
US-20160024026-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 — — US disclosed
US-20160024026-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 — — 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-20160024026-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ABL1 2610/4885SCN9A 2224/4885KCNH2 1907/4885

“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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