SCHEMBL17172172

SCHEMBL17172172

C=CCCC(O)(c1cncnc1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 9/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MMP2 P08253 6/20 0.32
▸ MMP9 P14780 6/20 0.32
▸ MMP1 P03956 2/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL17157361 0.87 CYP19A1 (0.38) CYP3A4CYP2C9
SCHEMBL17172180 0.83 CCR6 (0.38) ABL1CYP3A4CYP2C9CYP2C19MMP2
SCHEMBL17157419 0.81 MMP2 (0.37) ABL1CYP3A4CYP2C9CYP2C19MMP2
SCHEMBL17172174 0.76 CYP19A1 (0.40) CYP3A4
SCHEMBL17172165 0.74 ABL1 (0.36) ABL1CYP3A4MMP2MMP9MMP1
SCHEMBL17172168 0.73 CYP19A1 (0.46) ABL1MMP2MMP9MMP1MMP14
SCHEMBL17172183 0.73 CYP19A1 (0.40) CYP3A4SCN9ARAB9A
SCHEMBL17172182 0.73 CYP19A1 (0.41) CYP3A4MMP2MMP9MMP14SCN9A
SCHEMBL17172179 0.73 ABL1 (0.36) ABL1CYP3A4CYP2C9CYP2C19CCR6
SCHEMBL20596700 0.72 CYP3A4 (0.45) ABL1CYP3A4CYP2C9CYP2C19CCR6

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 474/4885CYP3A4 89/4885CYP2C9 68/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM ABL1 474/4885CYP3A4 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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