SCHEMBL12488167

SCHEMBL12488167

O=Cc1c(F)cccc1Oc1cnc2c(F)cccc2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.35
▸ SLC40A1 Q9NP59 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ GRM5 P41594 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HPGDS O60760 2/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ MIF P14174 2/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ SIRT3 Q9NTG7 1/20 0.32
▸ PTGER3 P43115 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
SCHEMBL21858442 0.90 RAB9A (0.40) EGLN1CYP3A4PPARGGRM5KCNH2
SCHEMBL21858459 0.90 PPARG (0.34) EGLN1SLC40A1CYP3A4PPARGGRM5
SCHEMBL21858411 0.88 NR1H3 (0.37) EGLN1PPARGALDH1A1
SCHEMBL21858453 0.87 MAPT (0.41) KDM4ENPC1RAB9AALDH1A1HTT
SCHEMBL21858409 0.87 PPARG (0.35) EGLN1SLC40A1CYP3A4PPARGKDM4E
SCHEMBL21858436 0.87 PPARG (0.39) EGLN1SLC40A1CYP3A4PPARGGRM5
SCHEMBL21858418 0.86 PPARG (0.46) CYP3A4PPARGKDM4ENPC1RAB9A
SCHEMBL21858410 0.86 GRM5 (0.37) EGLN1GRM5KCNH2ALDH1A1HTT
SCHEMBL21858398 0.85 KDM4E (0.36) EGLN1KDM4ENPC1RAB9A
SCHEMBL18796266 0.80 MAP4K4 (0.36) EGLN1KDM4ENPC1RAB9AHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210378240-A1 OXETANYLPHENOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2021-12-09 — — US disclosed
WO-2020079232-A1 OXETANYLPHENOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-23 — — WO disclosed
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 (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-20120289702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE CBR3, CBR1, NOX3 EGLN1 367/4885SLC40A1 1830/4885CYP3A4 607/4885
US-20210378240-A1 OXETANYLPHENOXYQUINOLINES AND ANALOGUES CBR3, CYP4X1, AOX1 EGLN1 379/4885SLC40A1 4187/4885CYP3A4 14/4885

“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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