SCHEMBL1976715

SCHEMBL1976715

O=C(OCc1cccc(Cl)c1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.58
PTPN7 P35236 1/20 0.48
PTPN12 Q05209 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 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
SCHEMBL15416492 0.88 HTR2A (0.62) HTR2APTPN7PTPN12PTPN22KMT2A
SCHEMBL30133398 0.86 MEN1 (0.47) HTR2APTPN7PTPN12PTPN22KMT2A
SCHEMBL25854988 0.86 MEN1 (0.47) HTR2APTPN7PTPN12PTPN22KMT2A
SCHEMBL29702445 0.85 HTR2A (0.58) HTR2AHCAR2MAOAMAOBMAPT
SCHEMBL21097197 0.85 HTR2A (0.58) HTR2AHCAR2MAOAMAOBMAPT
SCHEMBL6400861 0.85 HTR2A (0.61) HTR2APTPN7PTPN12PTPN22KMT2A
SCHEMBL13736970 0.85 HTR2A (0.58) HTR2AHCAR2KMT2AMEN1MAOA
SCHEMBL27346757 0.85 HTR2A (0.58) HTR2APTPN7PTPN12PTPN22KMT2A
SCHEMBL9144432 0.84 HTR2A (0.70) HTR2APTPN7PTPN12PTPN22KMT2A
SCHEMBL1714950 0.84 HTR2A (0.70) HTR2AKMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040969-B2 Compounds I Benevolentai Cambridge Limited (GB) 2021-06-22 US disclosed
US-10399973-B2 Compounds I Benevolentai Cambridge Limited (GB) 2019-09-03 US disclosed
US-20180118744-A1 NEW COMPOUNDS I PROXIMAGEN LIMITED (GB) 2018-05-03 US disclosed
US-9890160-B2 Compounds I PROXIMAGEN LIMITED (GB) 2018-02-13 US disclosed
US-20170044157-A1 NEW COMPOUNDS I PROXIMAGEN, LLC 2017-02-16 US disclosed
US-9493457-B2 4,5,6,7-tetrahyroimidazo[4,5-c]pyridine compounds PROXIMAGEN LIMITED (GB) 2016-11-15 US disclosed
US-20150218161-A1 NEW COMPOUNDS I PROXIMAGEN, LLC 2015-08-06 US disclosed
US-9035066-B2 Method of using 4,5,6,7-tetrahydroimidazo[4,5-C]pyridine compounds PROXIMAGEN LIMITED (GB) 2015-05-19 US disclosed
CN-102232073-B Ssao activity inhibitor PROXIMAGEN LTD. (GB) 2014-10-29 CN disclosed
US-20140121219-A1 New Compounds I PROXIMAGEN LIMITED (GB) 2014-05-01 US disclosed
EP-2334672-B1 4,5,6,7-Tetrahydroimidazo[4,5-c]pyridine compounds as inhibitors of SSAO PROXIMAGEN LTD (GB) 2013-11-20 EP disclosed
US-8569338-B2 Methods of using 4, 5, 6, 7-tetrahydroimidazo-[4,5-c]pyridine compounds PROXIMAGEN LTD. (GB) 2013-10-29 US disclosed
US-20120302583-A1 New Compounds I PROXIMAGEN LIMITED (GB) 2012-11-29 US disclosed
US-8263616-B2 4,5,6,7-tetrahydroimidazo[4,5-c]pyridine compounds PROXIMAGEN LTD (GB) 2012-09-11 US disclosed
US-20110207746-A1 NEW COMPOUNDS I PROXIMAGEN LIMITED (GB) 2011-08-25 US disclosed
EP-2334672-A1 NEW COMPOUNDS I Proximagen Limited (GB) 2011-06-22 EP disclosed
WO-2010031789-A1 NEW COMPOUNDS I BIOVITRUM AB (PUBL) (SE) 2010-03-25 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 (8 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-10399973-B2 Compounds I SSB, SQLE, ALOX15B HTR2A 2356/4885PTPN7 2600/4885PTPN12 3321/4885
US-20110207746-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B HTR2A 2068/4885PTPN7 2448/4885PTPN12 3376/4885
US-20120302583-A1 New Compounds I SSB, NFKBIA, NOD1 HTR2A 3202/4885PTPN7 2608/4885PTPN12 3662/4885
US-11040969-B2 Compounds I SSB, SQLE, ALOX15B HTR2A 2356/4885PTPN7 2600/4885PTPN12 3321/4885
US-20140121219-A1 New Compounds I SSB, NFKBIA, ALOX15B HTR2A 2068/4885PTPN7 2448/4885PTPN12 3376/4885
US-20170044157-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B HTR2A 2068/4885PTPN7 2448/4885PTPN12 3376/4885
US-20180118744-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B HTR2A 2068/4885PTPN7 2448/4885PTPN12 3376/4885
US-20150218161-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B HTR2A 2068/4885PTPN7 2448/4885PTPN12 3376/4885

“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.