SCHEMBL17454639

SCHEMBL17454639

Cc1ccccc1NC(=O)NCCCCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.51
▸ ITGB1 P05556 1/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ GFER P55789 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CCR2 P41597 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL17454652 0.98 KMT2A (0.47) KMT2AITGB1ITGA4TRPV1GFER
SCHEMBL16030380 0.93 KMT2A (0.42) KMT2AITGB1ITGA4TRPV1GFER
SCHEMBL17454745 0.92 TRPV1 (0.41) KMT2AITGB1ITGA4TRPV1GFER
SCHEMBL17454738 0.91 KMT2A (0.43) KMT2ATRPV1MEN1EPHX2PTGS2
SCHEMBL17454625 0.91 KMT2A (0.48) KMT2ATRPV1MEN1EPHX2PTGS2
SCHEMBL17454678 0.91 TRPV1 (0.43) KMT2ATRPV1MEN1EPHX2PTGS2
SCHEMBL16029920 0.90 ITGB1 (0.40) KMT2AITGB1ITGA4TRPV1GFER
SCHEMBL17454616 0.90 KMT2A (0.42) KMT2ATRPV1MEN1EPHX2PTGS2
SCHEMBL17454702 0.89 TRPV1 (0.47) ITGB1ITGA4TRPV1EPHX2
SCHEMBL17454739 0.89 TRPV1 (0.43) KMT2AITGB1ITGA4TRPV1MEN1

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
CN-106535634-B Molecules having certain pesticidal utility, intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-06-23 — — CN disclosed
EP-3171697-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2017-05-31 — — EP disclosed
US-9445594-B2 Molecules having certain pesticidal utilities, intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2016-09-20 — — US disclosed
US-9445594-B2 Molecules having certain pesticidal utilities, intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2016-09-20 — — US disclosed
US-9445594-B2 Molecules having certain pesticidal utilities, intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2016-09-20 — — US disclosed
US-20160021883-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 — — US disclosed
US-20160021883-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 — — US disclosed
US-20160021883-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 — — US disclosed
WO-2016014664-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 — — WO disclosed
WO-2016014664-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 — — WO 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-20160021883-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD KMT2A 2788/4885ITGB1 1629/4885ITGA4 2405/4885

“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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