SCHEMBL12489349

SCHEMBL12489349

CC(=O)C(O)c1c(F)cccc1Oc1cnc2c(F)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ GCK P35557 2/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33
▸ PPARG P37231 2/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ PARP1 P09874 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PSMD14 O00487 1/20 0.32
▸ ACACB O00763 1/20 0.32

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
SCHEMBL12486388 0.82 ABCB1 (0.32) EGLN1HPGDSABCB1ABCG2EGFR
SCHEMBL12489523 0.81 KMT2A (0.39) EGLN1HPGDSGCKSIRT2SIRT1
SCHEMBL12489917 0.79 EGLN1 (0.38) EGLN1HPGDSGCKCES2CES1
SCHEMBL19484250 0.76 EGLN1 (0.35) EGLN1HPGDSGCKSIRT2SIRT1
SCHEMBL13685082 0.76 HPGDS (0.37) HPGDSABCB1ABCG2
SCHEMBL20551081 0.75 SLC6A2 (0.39) HPGDSSMN1; SMN2KDM4E
SCHEMBL13685161 0.75 EGLN1 (0.36) EGLN1HPGDSGCKSIRT2SIRT1
SCHEMBL15501771 0.75 SLC40A1 (0.38) EGLN1HPGDSGCKLMNASMN1; SMN2
SCHEMBL12487968 0.74 KMT2A (0.41) EGLN1LMNATP53SMN1; SMN2KDM4E
SCHEMBL18796266 0.74 MAP4K4 (0.36) EGLN1HPGDSSIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522658-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL/HORTICULTURAL GERMICIDE NIPPON SODA CO (JP) 2018-09-26 — — EP disclosed
US-8772200-B2 Nitrogen-containing heterocyclic compound and agricultural fungicide NIPPON SODA CO., LTD. (JP) 2014-07-08 — — US disclosed
US-8772200-B2 Nitrogen-containing heterocyclic compound and agricultural fungicide NIPPON SODA CO., LTD. (JP) 2014-07-08 — — US disclosed
US-8772200-B2 Nitrogen-containing heterocyclic compound and agricultural fungicide NIPPON SODA CO., LTD. (JP) 2014-07-08 — — US disclosed
US-20120289702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2012-11-15 — — US disclosed
US-20120289702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2012-11-15 — — US disclosed
US-20120289702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2012-11-15 — — US disclosed
EP-2522658-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL/HORTICULTURAL GERMICIDE Nippon Soda Co., Ltd. (JP) 2012-11-14 — — EP disclosed
EP-2522658-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL/HORTICULTURAL GERMICIDE Nippon Soda Co., Ltd. (JP) 2012-11-14 — — EP disclosed
WO-2011081174-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL/HORTICULTURAL GERMICIDE 日本曹達株式会社 (JP) 2011-07-07 — — WO 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 (1 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-20120289702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE CBR3, CBR1, NOX3 EGLN1 367/4885HPGDS 4808/4885GCK 3891/4885

“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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