SCHEMBL17457600

SCHEMBL17457600

COc1ccccc1-c1cc(C(=O)Nc2ccc(-c3ncn(-c4ccc(C(F)(F)F)cc4)n3)cc2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.50
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ABL1 P00519 3/20 0.46
▸ ABCB1 P08183 2/20 0.45
▸ TDO2 P48775 1/20 0.44
▸ FPR2 P25090 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ UGCG Q16739 1/20 0.42

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 0.91 TRPV1 (0.48) ABCG2MAPTPOLBABL1TRPV1
SCHEMBL17457625 0.91 ABL1 (0.58) ABL1
SCHEMBL17457645 0.89 ABL1 (0.51) ABCG2MAPTPOLBABL1ABCB1
SCHEMBL17457630 0.89 TRPV1 (0.49) ABCG2MAPTTRPV1KDR
SCHEMBL17457658 0.89 ABL1 (0.51) ABCG2MAPTPOLBABL1MEN1
SCHEMBL17457638 0.89 UGCG (0.55) ABCG2MAPTPOLBABCB1TDO2
SCHEMBL17457620 0.88 ABL1 (0.45) ABCG2MAPTPOLBABL1MEN1
SCHEMBL17457627 0.87 ABL1 (0.48) ABCG2MAPTABL1TRPV1
SCHEMBL17457632 0.82 ABL1 (0.57) MAPTABL1MEN1KMT2A
SCHEMBL17457661 0.80 ABL1 (0.64) MAPTPOLBABL1

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 ABCG2 932/4885MAPT 2856/4885POLB 3692/4885

“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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