SCHEMBL15501797

SCHEMBL15501797

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 2/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ PDE4A P27815 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
SCHEMBL15501853 0.83 SLC40A1 (0.38) SLC40A1KDM4EALDH1A1LMNAKMT2A
SCHEMBL15501771 0.83 SLC40A1 (0.38) SLC40A1ALDH1A1LMNAADORA2AP2RY1
SCHEMBL15501854 0.82 SLC40A1 (0.39) SLC40A1HTR1ACYP2C19KMT2AEGLN1
SCHEMBL15501891 0.82 HPGDS (0.37) SLC40A1CYP1A2KDM4ECASP1HTR1A
SCHEMBL15501845 0.79 SLC40A1 (0.35) SLC40A1KDM4EMAOBALDH1A1LMNA
SCHEMBL15501807 0.79 EGLN1 (0.38) SLC40A1ALDH1A1ADORA2AADORA1KMT2A
SCHEMBL12486388 0.77 ABCB1 (0.32) KDM4EABCB1ABCG2EGLN1
SCHEMBL12487949 0.76 EGLN1 (0.34) KDM4EEGLN1
SCHEMBL12489581 0.74 EGLN1 (0.35) SLC40A1KDM4ECYP3A4EGLN1
SCHEMBL29777482 0.74 EGLN1 (0.35) SLC40A1KDM4ECYP3A4EGLN1

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 2307/4885CYP1A2 58/4885KDM4E 2699/4885

“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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