SCHEMBL487553

SCHEMBL487553

O=[N+]([O-])c1cc(CO)cnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
GPR35 Q9HC97 2/20 0.37
HTT P42858 4/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
VCAM1 P19320 1/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
PKM P14618 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSP90AA1 P07900 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
SCHEMBL19072274 0.83 SMN1; SMN2 (0.40) PIN1ALDH1A1MAPTHTTGAA
SCHEMBL487814 0.83 PIN1 (0.39) PIN1ALDH1A1MAPTGPR35HTT
SCHEMBL27324878 0.83 PIN1 (0.39) PIN1ALDH1A1MAPTGPR35GAA
SCHEMBL27885519 0.82 CYP1A2 (0.42) PIN1MAPTVCAM1MEN1KMT2A
SCHEMBL6384034 0.81 PIN1 (0.38) PIN1ALDH1A1MAPTGPR35GAA
SCHEMBL27743531 0.80 PIN1 (0.40) PIN1ALDH1A1MAPTGPR35GAA
SCHEMBL3326111 0.79 TDP1 (0.40) PIN1ALDH1A1MAPTGAATSHR
SCHEMBL5037042 0.79 FBP1 (0.42) PIN1ALDH1A1MAPTHTTMAPK1
SCHEMBL5033869 0.78 PIN1 (0.62) PIN1ALDH1A1MAPTGAAVCAM1
SCHEMBL28018377 0.76 PIN1 (0.40) PIN1MAPTVCAM1KDM4EMEN1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049488-B1 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES BAYER IP GMBH (DE) 2015-12-09 EP disclosed
EP-2004636-B1 Substituted enaminocarbonyl compounds used as insecticides BAYER IP GMBH (DE) 2015-04-22 EP disclosed
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
EP-2707373-A1 BICYCLIC (THIO)CARBONYLAMIDINES Bayer Intellectual Property GmbH (DE) 2014-03-19 EP disclosed
CN-101460502-B Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG 2013-07-17 CN disclosed
EP-2021344-B1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-05-08 EP disclosed
EP-2004606-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-04-24 EP disclosed
WO-2012152741-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-15 WO disclosed
CN-101454316-B Substituted enaminocarbonyl compounds for use as pesticides BAYER CROPSCIENCE AG 2012-08-15 CN disclosed
US-8138350-B2 N′-cyano-N-halogenalkylimidamide derivatives BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-07-16 US disclosed
CN-101460502-A Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG (DE) 2009-06-17 CN disclosed
CN-101454316-A Substituted enaminocarbonyl compounds for use as pesticides BAYER CROPSCIENCE AG (DE) 2009-06-10 CN disclosed
EP-2049488-A2 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES Bayer CropScience AG (DE) 2009-04-22 EP disclosed
CN-101415682-A Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2009-04-22 CN disclosed
EP-2021344-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS Bayer CropScience AG (DE) 2009-02-11 EP disclosed
EP-2004606-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2008-12-24 EP disclosed
WO-2008009360-A2 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-01-24 WO disclosed
WO-2007115643-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 WO disclosed
WO-2007115647-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 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-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS TARS2, TBCA, DDT PIN1 188/4885ALDH1A1 2672/4885MAPT 1768/4885
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BROX, BOLA2; BOLA2B, CAT PIN1 2489/4885ALDH1A1 1780/4885MAPT 2506/4885

“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.