SCHEMBL1201468

SCHEMBL1201468

CC(C)CCCOc1nc(C(F)(F)F)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ TXNRD1 Q16881 1/20 0.34
▸ TXNRD3 Q86VQ6 1/20 0.34
▸ TXNRD2 Q9NNW7 1/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MAPT P10636 4/20 0.33
▸ GAA P10253 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PIN1 Q13526 2/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL1201925 0.87 S1PR4 (0.34) CYP3A4ALDH1A1ALOX15TSHRMAPT
SCHEMBL1201093 0.82 NPC1 (0.36) CYP3A4ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL1200509 0.82 MAPT (0.36) CYP3A4TDP1ALDH1A1HIF1AMEN1
SCHEMBL1201317 0.82 S1PR4 (0.35) CYP3A4TDP1ALDH1A1HPGDMEN1
SCHEMBL15195572 0.81 SCN9A (0.34) HPGDSCN9AMAOAMAOB
SCHEMBL12878855 0.80 MAPT (0.36) MAPTPIN1XDHS1PR4PGK1
SCHEMBL1201484 0.80 PIN1 (0.37) CYP3A4ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL16975807 0.77 MAPT (0.37) CYP3A4TDP1ALDH1A1ALOX15MEN1
SCHEMBL12879025 0.70 NPC1 (0.30) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15195569 0.70 AAK1 (0.34) XDHMAOAMAOB

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 CYP3A4 139/4885TDP1 1364/4885ALDH1A1 153/4885
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO CYP3A4 107/4885TDP1 1487/4885ALDH1A1 171/4885

“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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