SCHEMBL1201317

SCHEMBL1201317

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 6/20 0.35
▸ PIN1 Q13526 2/20 0.34
▸ MYC P01106 2/20 0.34
▸ MAX P61244 2/20 0.34
▸ XDH P47989 1/20 0.33
▸ PGK1 P00558 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ LMNA P02545 1/20 0.32

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 0.87 XDH (0.34) S1PR4PIN1MYCMAXXDH
SCHEMBL1201093 0.85 NPC1 (0.36) S1PR4PIN1XDHMAPTALDH1A1
SCHEMBL1200509 0.85 MAPT (0.36) S1PR4PIN1XDHPGK1MAPT
SCHEMBL12878855 0.83 MAPT (0.36) S1PR4PIN1XDHPGK1MAPT
SCHEMBL1201484 0.82 PIN1 (0.37) S1PR4PIN1MYCMAXXDH
SCHEMBL1201468 0.82 CYP3A4 (0.34) S1PR4PIN1XDHPGK1MAPT
SCHEMBL16975807 0.80 MAPT (0.37) S1PR4PIN1MYCMAXXDH
SCHEMBL15195562 0.79 S1PR4 (0.33) S1PR4MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL19814093 0.77 MERTK (0.41) S1PR4PIN1PGK1MAPTALDH1A1
SCHEMBL1200326 0.76 S1PR4 (0.33) S1PR4XDHMAPTALDH1A1HTT

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 11 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
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 1870/4885PIN1 1945/4885MYC 3607/4885
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO S1PR4 2011/4885PIN1 1908/4885MYC 3408/4885

“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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