SCHEMBL17157433

SCHEMBL17157433

Cc1ccc(Oc2ccc(C(=O)c3cncnc3)nc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LIPE Q05469 2/20 0.38
▸ POLB P06746 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ P2RY14 Q15391 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ACACB O00763 1/20 0.34

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
SCHEMBL17157408 0.85 LIPE (0.43) LIPEKMT2A
SCHEMBL17157521 0.76 KCNQ3 (0.41) LMNAGRM5
SCHEMBL17157421 0.76 HRH3 (0.44) KDM4ENPC1RAB9ALMNAKMT2A
SCHEMBL17157310 0.75 L3MBTL1 (0.45) PPARGGRM5
SCHEMBL17157370 0.73 ABL1 (0.49) NPC1RAB9AKMT2A
SCHEMBL17157312 0.73 LIPE (0.45) NPC1RAB9ALIPELMNAKMT2A
SCHEMBL903584 0.72 RAB9A (0.56) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL18666820 0.72 RXFP1 (0.51) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL29352173 0.72 RXFP1 (0.51) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL8736739 0.71 KDM4E (0.50) KDM4EALDH1A1HSD17B10NPC1RAB9A

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 KDM4E 2055/4885ALDH1A1 180/4885HSD17B10 333/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM KDM4E 2055/4885ALDH1A1 180/4885HSD17B10 333/4885
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM KDM4E 2055/4885ALDH1A1 180/4885HSD17B10 333/4885

“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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