SCHEMBL1200326

SCHEMBL1200326

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL1200480 0.88 XDH (0.34) S1PR4ALDH1A1HTTXDHNPC1
SCHEMBL1201215 0.86 CDK1 (0.35) ALDH1A1XDHNPC1CYP3A4MAPT
SCHEMBL1200360 0.81 MAPT (0.39) ALDH1A1HTTXDHMAPTLMNA
SCHEMBL1200962 0.81 PIN1 (0.36) ALDH1A1XDHNPC1MAPTLMNA
SCHEMBL15195571 0.79 THRA (0.35) THRATHRB
SCHEMBL1201380 0.78 NOS3 (0.36) THRATHRBTDP1
Nitrous Acid SCHEMBL27793938 0.78 XDH (0.38) ALDH1A1XDHNPC1CYP3A4TDP1
SCHEMBL27793937 0.77 NPC1 (0.34) ALDH1A1XDHNPC1CYP3A4MAPT
SCHEMBL30234676 0.76 L3MBTL1 (0.40) ALDH1A1HTTCYP3A4MAPTCYP1A2
SCHEMBL25604907 0.76 L3MBTL1 (0.40) ALDH1A1HTTCYP3A4MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103396359-B Iminipyridine derivatives and they purposes as microbicide 先正达参股股份有限公司 2016-06-29 — — CN disclosed
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-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
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 — — US disclosed
CN-101657423-A Iminopyridine derivatives and their use as microbicides SYNGENTA LTD 2010-02-24 — — CN 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 S1PR4 1870/4885ALDH1A1 153/4885HTT 4685/4885
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO S1PR4 2011/4885ALDH1A1 171/4885HTT 4604/4885

“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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