SCHEMBL17457627

SCHEMBL17457627

O=C(Nc1ccc(-c2ncn(-c3ccc(C(F)(F)F)cc3)n2)cc1)c1ccc(F)c(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.48
▸ TRPV1 Q8NER1 7/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GRM5 P41594 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ PTGDR2 Q9Y5Y4 2/20 0.44
▸ P2RY14 Q15391 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ PTGS2 P35354 1/20 0.43

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
SCHEMBL17457618 0.93 TRPV1 (0.48) ABL1TRPV1NPC1RAB9AABCG2
SCHEMBL17457630 0.90 TRPV1 (0.49) TRPV1ABCG2PTGDR2MAPT
SCHEMBL17457634 0.89 ABL1 (0.62) ABL1SMN1; SMN2
SCHEMBL17457645 0.88 ABL1 (0.51) ABL1TRPV1ABCG2MAPTSMN1; SMN2
SCHEMBL17457600 0.87 ABCG2 (0.50) ABL1TRPV1ABCG2MAPT
SCHEMBL17457643 0.87 ABL1 (0.53) ABL1TP53SMN1; SMN2
SCHEMBL17457624 0.85 ABL1 (0.46) ABL1MAPTTP53SMN1; SMN2
SCHEMBL17457632 0.81 ABL1 (0.57) ABL1MAPTSMN1; SMN2
SCHEMBL17457638 0.80 UGCG (0.55) TRPV1ABCG2P2RY14MAPTSMN1; SMN2
SCHEMBL16046625 0.80 ABCG2 (0.45) TRPV1NPC1RAB9AABCG2P2RY14

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 10 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
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 2610/4885TRPV1 361/4885NPC1 3002/4885

“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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