SCHEMBL17172193

SCHEMBL17172193

OC(C#CC1CC1)(c1cncnc1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 8/20 0.35
▸ MMP9 P14780 4/20 0.34
▸ MMP2 P08253 3/20 0.34
▸ MMP14 P50281 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GRIN2B Q13224 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ MMP1 P03956 2/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP7 P09237 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ AR P10275 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ SCN9A Q15858 1/20 0.31

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
SCHEMBL17172192 0.90 CYP19A1 (0.37) MMP9MMP2MMP14CYP3A4CYP19A1
SCHEMBL17172188 0.87 CYP19A1 (0.41) CYP3A4CYP19A1AR
SCHEMBL17172179 0.84 ABL1 (0.36) ABL1CYP3A4CYP2C9CYP2C19CCR6
SCHEMBL17172168 0.80 CYP19A1 (0.46) ABL1MMP9MMP2MMP14GRIN2B
SCHEMBL17157419 0.78 MMP2 (0.37) ABL1MMP9MMP2MMP14CYP3A4
SCHEMBL17185795 0.75 MMP2 (0.37) ABL1MMP9MMP2MMP14GRIN2B
SCHEMBL17157382 0.75 CYP3A4 (0.41) ABL1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL17172180 0.74 CCR6 (0.38) ABL1MMP9MMP2MMP14CYP3A4
SCHEMBL17172165 0.74 ABL1 (0.36) ABL1MMP9MMP2MMP14CYP3A4
SCHEMBL17172181 0.73 CYP19A1 (0.39) CYP3A4CYP19A1KCNH2SCN5ASCN9A

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 6 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-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
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO 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 (2 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 ABL1 474/4885MMP9 151/4885MMP2 211/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM ABL1 474/4885MMP9 151/4885MMP2 211/4885

“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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