SCHEMBL1200360

SCHEMBL1200360

Cc1nc(OCCCC(C)C)c(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ XDH P47989 1/20 0.37
▸ GRM6 O15303 1/20 0.36
▸ GRIA1 P42261 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ GRIA3 P42263 1/20 0.36
▸ GRIA4 P48058 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 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
SCHEMBL1314227 0.82 GLA (0.43) MAPTGRM6GRIA1GRIA2GRIA3
SCHEMBL1200326 0.81 S1PR4 (0.33) MAPTXDHLMNATDP1POLB
SCHEMBL15195573 0.81 XDH (0.39) XDHLMNATDP1ALDH1A1HTT
SCHEMBL12878855 0.76 MAPT (0.36) MAPTXDHGRM6GRIA1GRIA2
Nitrous Acid SCHEMBL27793938 0.75 XDH (0.38) XDHTDP1AKR1C3AKR1C1ALDH1A1
SCHEMBL27793937 0.74 NPC1 (0.34) MAPTXDHLMNAPOLBHPGD
SCHEMBL27772658 0.72 TXNRD1 (0.41) MAPTXDHALDH1A1HTT
SCHEMBL12878869 0.71 MYC (0.42) MAPTXDHLMNAPIN1TDP1
SCHEMBL16975807 0.71 MAPT (0.37) MAPTXDHLMNAPIN1TDP1
SCHEMBL1200398 0.70 VCAM1 (0.50) MAPTGRM6GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 — — US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 — — US disclosed
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2013-12-19 — — US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 — — US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 — — US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 — — US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 — — US disclosed
EP-2125734-A2 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2009-12-02 — — EP disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 — — WO disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 — — 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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO MAPT 4339/4885XDH 199/4885GRM6 2176/4885
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO MAPT 4144/4885XDH 189/4885GRM6 1977/4885

“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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