SCHEMBL17159528

SCHEMBL17159528

CC(C)(C)C(O)(c1cncnc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 1/20 0.43
▸ ABL1 P00519 13/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL17171892 0.88 ABL1 (0.41) SCN5AABL1PRMT6KCNH2CCR6
SCHEMBL17171872 0.88 ABL1 (0.45) SCN5AABL1CYP11B1CYP11B2PRMT6
SCHEMBL17171870 0.87 AKR1C2 (0.40) SCN5AABL1PRMT6KCNH2CCR6
SCHEMBL17171970 0.87 ALOX5AP (0.43) ABL1CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL17171969 0.87 SCN5A (0.42) SCN5AABL1KCNH2
SCHEMBL17171902 0.86 ABL1 (0.43) SCN5AABL1CYP11B1CYP11B2PRMT6
SCHEMBL17171962 0.86 CYP11B1 (0.38) SCN5ACYP11B1CYP11B2CYP3A4
SCHEMBL17171964 0.86 CACNA1B (0.44) SCN5ACYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL17185897 0.84 ABL1 (0.41) SCN5AABL1PRMT6KCNH2CCR6
SCHEMBL17159520 0.84 ABL1 (0.41) SCN5AABL1PRMT6KCNH2CCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180290998-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-10-11 — — US disclosed
US-9957252-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 — — US disclosed
US-9957252-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 — — US disclosed
US-9957252-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-05-01 — — US disclosed
US-20170233369-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2017-08-17 — — US disclosed
US-20170233369-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2017-08-17 — — US disclosed
US-20170233369-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2017-08-17 — — US disclosed
US-9663491-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2017-05-30 — — US disclosed
US-9663491-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2017-05-30 — — US disclosed
US-9663491-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2017-05-30 — — US disclosed
EP-3131400-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES Dow AgroSciences LLC (US) 2017-02-22 — — EP disclosed
WO-2015160664-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO disclosed
WO-2015160664-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO disclosed
US-20150291557-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291557-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291557-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — 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 (3 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-20180290998-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM SCN5A 959/4885ABL1 474/4885CYP11B1 42/4885
US-20150291557-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM SCN5A 959/4885ABL1 474/4885CYP11B1 42/4885
US-20170233369-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM SCN5A 959/4885ABL1 474/4885CYP11B1 42/4885

“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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