SCHEMBL15501891

SCHEMBL15501891

CC(C)(C#N)c1ncccc1Oc1cnc2c(F)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.37
▸ SLC40A1 Q9NP59 3/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PDE4A P27815 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ HTR1A P08908 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP1A2 P05177 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ PGR P06401 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
SCHEMBL15501854 0.83 SLC40A1 (0.39) HPGDSSLC40A1MEN1KMT2AHTR1A
SCHEMBL15501853 0.82 SLC40A1 (0.38) HPGDSSLC40A1MEN1KMT2AALDH1A1
SCHEMBL15501797 0.82 SLC40A1 (0.36) SLC40A1KMT2APDE4APDE4DHTR1A
SCHEMBL15501771 0.82 SLC40A1 (0.38) HPGDSSLC40A1MEN1KMT2AALDH1A1
SCHEMBL15501807 0.78 EGLN1 (0.38) HPGDSSLC40A1KMT2AALDH1A1RAB9A
SCHEMBL15501845 0.78 SLC40A1 (0.35) SLC40A1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12487949 0.75 EGLN1 (0.34) HPGDSKDM4EMAPTNPC1RAB9A
SCHEMBL20551081 0.74 SLC6A2 (0.39) HPGDSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12489581 0.73 EGLN1 (0.35) HPGDSSLC40A1KDM4ECYP3A4
SCHEMBL29777482 0.73 EGLN1 (0.35) HPGDSSLC40A1KDM4ECYP3A4

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 HPGDS 4805/4885SLC40A1 2307/4885MEN1 373/4885

“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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