SCHEMBL15501854

SCHEMBL15501854

CC(C)(C=O)c1ncccc1Oc1cnc2c(F)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 4/20 0.39
▸ NFE2L2 Q16236 2/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PTGER3 P43115 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CKS1B P61024 1/20 0.31
▸ SKP2 Q13309 1/20 0.31

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
SCHEMBL15501853 0.84 SLC40A1 (0.38) SLC40A1KMT2AHPGDSMEN1EGLN1
SCHEMBL15501771 0.84 SLC40A1 (0.38) SLC40A1KMT2AHPGDSMEN1PTGER3
SCHEMBL15501891 0.83 HPGDS (0.37) SLC40A1KMT2AHPGDSHTR1ACYP2C19
SCHEMBL15501797 0.82 SLC40A1 (0.36) SLC40A1KMT2AHTR1ACYP2C19EGLN1
SCHEMBL15501845 0.80 SLC40A1 (0.35) SLC40A1KMT2AMEN1EGLN1L3MBTL1
SCHEMBL15501807 0.80 EGLN1 (0.38) SLC40A1KMT2AHPGDSEGLN1
SCHEMBL12488167 0.77 EGLN1 (0.35) SLC40A1HPGDSPTGER3EGLN1
SCHEMBL12487949 0.75 EGLN1 (0.34) HPGDSEGLN1
SCHEMBL13684923 0.74 EGLN1 (0.33) KMT2AHPGDSEGLN1
SCHEMBL20551081 0.74 SLC6A2 (0.39) KMT2AHPGDSCYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2711361-B1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO (JP) 2016-06-29 — — EP disclosed
US-9060517-B2 Nitrogenated heterocyclic compound and agricultural or horticultural fungicide NIPPON SODA CO., LTD. (JP) 2015-06-23 — — US disclosed
US-9060517-B2 Nitrogenated heterocyclic compound and agricultural or horticultural fungicide NIPPON SODA CO., LTD. (JP) 2015-06-23 — — US disclosed
US-9060517-B2 Nitrogenated heterocyclic compound and agricultural or horticultural fungicide NIPPON SODA CO., LTD. (JP) 2015-06-23 — — US disclosed
EP-2711361-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE Nippon Soda Co., Ltd. (JP) 2014-03-26 — — EP disclosed
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2014-03-13 — — US disclosed
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2014-03-13 — — US disclosed
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2014-03-13 — — 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 (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-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE CBR3, CBR1, NOX3 SLC40A1 2307/4885NFE2L2 2911/4885KMT2A 1871/4885

“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.

Send feedback