SCHEMBL16076982

SCHEMBL16076982

[N-]=[N+]=NC(=O)Cc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ CACNA1H O95180 3/20 0.37
▸ CACNA1G O43497 2/20 0.37
▸ CACNA1I Q9P0X4 2/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ STAT3 P40763 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ LIPE Q05469 1/20 0.34
▸ GCGR P47871 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GIPR P48546 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL16076983 0.93 S1PR1 (0.33) CYP19A1CYP11B1CYP11B2S1PR1S1PR3
SCHEMBL16029978 0.90 S1PR1 (0.39) CYP19A1CYP11B1CYP11B2S1PR1S1PR3
SCHEMBL16078353 0.90 HDAC1 (0.36) CYP19A1CYP11B1CYP11B2S1PR1S1PR3
SCHEMBL20602341 0.89 POLB (0.36) CYP19A1CYP11B1CYP11B2S1PR1S1PR3
SCHEMBL30604319 0.88 S1PR1 (0.38) CYP19A1CYP11B1CYP11B2S1PR1S1PR3
SCHEMBL16076984 0.87 CYP2C9 (0.41) S1PR1S1PR3HDAC1HDAC6TP53
SCHEMBL19442633 0.87 HDAC1 (0.38) CYP19A1CYP11B1CYP11B2S1PR1S1PR3
SCHEMBL14576427 0.86 NPC1 (0.39) CYP19A1CYP11B1CYP11B2S1PR1S1PR3
SCHEMBL16030149 0.84 GCGR (0.42) CYP19A1CYP11B1CYP11B2CACNA1HCACNA1G
SCHEMBL16030165 0.84 USP7 (0.39) BCHEACHELIPEGCGRMCHR1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 — — EP disclosed
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
US-20180044332-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC 2018-02-15 — — US disclosed
US-9834547-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-12-05 — — US disclosed
US-9783532-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-10-10 — — US disclosed
US-20170183335-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-06-29 — — US 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
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 — — 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 (4 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-20170183335-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CYP19A1 642/4885CYP11B1 837/4885CYP11B2 1064/4885
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CYP19A1 642/4885CYP11B1 837/4885CYP11B2 1064/4885
US-20160021883-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD CYP19A1 628/4885CYP11B1 802/4885CYP11B2 1028/4885
US-20180044332-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CYP19A1 642/4885CYP11B1 837/4885CYP11B2 1064/4885

“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.

Send feedback