SCHEMBL12489524

SCHEMBL12489524

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.36
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HPGDS O60760 1/20 0.33

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
SCHEMBL15501845 0.81 SLC40A1 (0.35) EGLN1KMT2AMEN1MAPTPOLB
SCHEMBL12487968 0.81 KMT2A (0.41) EGLN1KMT2AMEN1MAPTPOLB
SCHEMBL12487949 0.79 EGLN1 (0.34) EGLN1MAPTRAB9ANPC1HPGDS
SCHEMBL13684923 0.78 EGLN1 (0.33) EGLN1KMT2AHPGDHPGDS
SCHEMBL17420722 0.77 L3MBTL1 (0.42) MAPTPOLBLMNAGAATSHR
SCHEMBL30628260 0.77 L3MBTL1 (0.42) MAPTPOLBLMNAGAATSHR
SCHEMBL30628254 0.77 L3MBTL1 (0.42) MAPTPOLBLMNAGAATSHR
SCHEMBL12489581 0.77 EGLN1 (0.35) EGLN1HPGDS
SCHEMBL29777482 0.77 EGLN1 (0.35) EGLN1HPGDS
SCHEMBL12489523 0.74 KMT2A (0.39) EGLN1KMT2AMEN1RAB9AHPGDS

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-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
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 367/4885KMT2A 1832/4885MEN1 1761/4885

“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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