SCHEMBL17157370

SCHEMBL17157370

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 14/20 0.49
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NTRK1 P04629 1/20 0.40

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
SCHEMBL17157312 0.87 LIPE (0.45) NPC1RAB9AL3MBTL1KMT2A
SCHEMBL17157486 0.87 ABL1 (0.49) ABL1NPC1RAB9AL3MBTL1
SCHEMBL17157421 0.82 HRH3 (0.44) NPC1RAB9AMEN1KMT2A
SCHEMBL12700407 0.80 NPC1 (0.56) ABL1NPC1RAB9A
SCHEMBL17157521 0.80 KCNQ3 (0.41) L3MBTL1NTRK1
SCHEMBL17157408 0.73 LIPE (0.43) KMT2ANTRK1
SCHEMBL17157433 0.73 KDM4E (0.41) NPC1RAB9AKMT2A
SCHEMBL17157465 0.73 MEN1 (0.43) NPC1RAB9AL3MBTL1FAAHEPHX2
SCHEMBL17157523 0.71 ABL1 (0.44) ABL1
SCHEMBL17157310 0.71 L3MBTL1 (0.45) L3MBTL1

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 4 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-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-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 ABL1 474/4885NPC1 799/4885RAB9A 2842/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM ABL1 474/4885NPC1 799/4885RAB9A 2842/4885
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM ABL1 474/4885NPC1 799/4885RAB9A 2842/4885

“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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