SCHEMBL6610075

SCHEMBL6610075

O=[N+]([O-])c1ccc(NCC2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 5/20 0.54
EPHX1 P07099 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
NAMPT P43490 1/20 0.46
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH3A1 P30838 1/20 0.44

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
SCHEMBL2930543 0.92 MAPT (0.58) MAPTPOLBLMNAGAAALDH1A1
SCHEMBL30781039 0.92 MAPT (0.58) MAPTPOLBLMNAGAAALDH1A1
SCHEMBL2934670 0.89 MAPT (0.51) MAPTPOLBLMNAGAAALDH1A1
SCHEMBL23247037 0.84 MAPT (0.50) MAPTPOLBLMNAGAAALDH1A1
SCHEMBL28186774 0.81 MAPT (0.53) MAPTPOLBLMNAALDH1A1MEN1
SCHEMBL3099808 0.78 EPHX1 (0.59) MAPTPOLBLMNAGAAALDH1A1
SCHEMBL4061833 0.78 SMN1; SMN2 (0.60) MAPTPOLBLMNAGAAALDH1A1
SCHEMBL6819449 0.77 POLB (0.49) MAPTPOLBLMNAGAAALDH1A1
SCHEMBL29974854 0.77 MAPT (0.47) MAPTPOLBLMNAGAAALDH1A1
SCHEMBL23579537 0.77 MAPT (0.47) MAPTPOLBLMNAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2905272-B1 Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines COVESTRO DEUTSCHLAND AG (DE) 2016-11-23 EP claimed
US-9278906-B2 Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines BAYER MATERIALSCIENCE AG (DE) 2016-03-08 US claimed
EP-2905272-A1 Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines Bayer MaterialScience AG (DE) 2015-08-12 EP claimed
US-20150218083-A1 PROCESS FOR HYDROGENATING AROMATIC DI- AND POLYAMINES TO CYCLOALIPHATIC DI- AND POLYAMINES COVESTRO DEUTSCHLAND AG (DE) 2015-08-06 US claimed
US-20230117592-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-04-20 US disclosed
EP-4081199-A2 LIPOXYGENASE INHIBITORS SRI International (US) 2022-11-02 EP disclosed
CN-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 CN disclosed
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed
EP-2905272-B1 Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines COVESTRO DEUTSCHLAND AG (DE) 2016-11-23 EP disclosed
US-9278906-B2 Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines BAYER MATERIALSCIENCE AG (DE) 2016-03-08 US disclosed
EP-2905272-A1 Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines Bayer MaterialScience AG (DE) 2015-08-12 EP disclosed
US-20150218083-A1 PROCESS FOR HYDROGENATING AROMATIC DI- AND POLYAMINES TO CYCLOALIPHATIC DI- AND POLYAMINES COVESTRO DEUTSCHLAND AG (DE) 2015-08-06 US disclosed
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-30 US disclosed
EP-1418906-A1 AMINOALKYL-SUBSTITUTED AROMATIC BICYCLIC COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2004-05-19 EP disclosed
US-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-11-13 US disclosed
WO-2003015769-A1 AMINOALKYL-SUBSTITUTED AROMATIC BICYCLIC COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-27 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 (7 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-20150218083-A1 PROCESS FOR HYDROGENATING AROMATIC DI- AND POLYAMINES TO CYCLOALIPHATIC DI- AND POLYAMINES DDT, HRH3, HRH4 MAPT 2582/4885POLB 584/4885LMNA 4846/4885
US-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885POLB 1943/4885LMNA 1397/4885
US-20230117592-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX5 MAPT 2110/4885POLB 1414/4885LMNA 1170/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885POLB 1943/4885LMNA 1397/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885POLB 1943/4885LMNA 1397/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885POLB 1943/4885LMNA 1397/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885POLB 1943/4885LMNA 1397/4885

“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.