SCHEMBL17157391

SCHEMBL17157391

OC(c1cncnc1)(c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.46
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ABL1 P00519 9/20 0.37
▸ CCR6 P51684 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ NPY2R P49146 1/20 0.35
▸ TEK Q02763 1/20 0.35

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
SCHEMBL17172168 0.88 CYP19A1 (0.46) CYP19A1ABL1CCR6KCNH2SCN5A
SCHEMBL17172219 0.88 NPY5R (0.42) CYP3A4CYP2C9CYP2C19ABL1CCR6
SCHEMBL17157378 0.87 CYP19A1 (0.44) CYP19A1CYP3A4CYP2C9CYP2C19ABL1
SCHEMBL17172204 0.85 CYP19A1 (0.45) CYP19A1CYP3A4CYP2C9CYP2C19ABL1
SCHEMBL7713437 0.82 CYP19A1 (0.67) CYP19A1ABL1CCR6KCNH2NPY2R
SCHEMBL17172312 0.82 CYP3A4 (0.37) CYP19A1CYP3A4CYP2C9CYP2C19ABL1
SCHEMBL17172209 0.82 CYP19A1 (0.66) CYP19A1CYP3A4
SCHEMBL17172230 0.81 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19ABL1KCNH2
SCHEMBL17157426 0.81 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19ABL1KCNH2
SCHEMBL17172335 0.79 ABL1 (0.38) CYP3A4CYP2C9CYP2C19ABL1CCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 — — US disclosed
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 — — US disclosed
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-10-18 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291632-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-10167300-B2 Metalloenzyme inhibitor compounds as fungicides GPX1, POR, MGAM CYP19A1 63/4885CYP3A4 89/4885CYP2C9 68/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885CYP3A4 89/4885CYP2C9 68/4885
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885CYP3A4 89/4885CYP2C9 68/4885

“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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