SCHEMBL17454092

SCHEMBL17454092

O=C(Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ TRPV1 Q8NER1 4/20 0.53
▸ NAMPT P43490 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ IGF2BP2 Q9Y6M1 1/20 0.49
▸ ABL1 P00519 6/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL17454082 0.94 MAPT (0.52) MAPTTRPV1NAMPTLMNAABL1
SCHEMBL17457662 0.92 ABL1 (0.59) MAPTABL1MEN1HTTKMT2A
SCHEMBL17454103 0.90 ABCG2 (0.57) MAPTTRPV1LMNAABL1SMN1; SMN2
SCHEMBL17457657 0.90 ABL1 (0.50) MAPTTRPV1ABL1SMN1; SMN2OPRM1
SCHEMBL17457634 0.89 ABL1 (0.62) ABL1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL17457607 0.89 ABL1 (0.47) MAPTTRPV1ABL1OPRM1KCNH2
SCHEMBL17457648 0.88 ABL1 (0.62) ABL1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL17457649 0.88 ABL1 (0.58) MAPTABL1
SCHEMBL1259137 0.87 EPHX2 (0.47) MAPTTRPV1LMNAABL1MEN1
SCHEMBL17457595 0.87 ABL1 (0.47) MAPTABL1MEN1HTTKMT2A

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
EP-3174865-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-12-09 — — EP disclosed
EP-3174865-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-12-09 — — EP disclosed
US-9533961-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-01-03 — — US disclosed
US-9533961-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-01-03 — — US disclosed
WO-2016018875-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-02-04 — — WO disclosed
US-20160024027-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 — — US disclosed
US-20160024027-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 — — US disclosed
US-20160024027-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-20160024027-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD MAPT 2856/4885TRPV1 361/4885NAMPT 2440/4885

“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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