SCHEMBL435495

SCHEMBL435495

O=[N+]([O-])c1ccc2c(c1)-c1ccccc1-2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.85
S100A4 P26447 2/20 0.78
BCHE P06276 1/20 0.78
ACHE P22303 1/20 0.78
CES1 P23141 1/20 0.78
HSP90AA1 P07900 1/20 0.73
CDK5 Q00535 1/20 0.73
CDK5R1 Q15078 1/20 0.73
NCOA1 Q15788 1/20 0.73
NCOA3 Q9Y6Q9 1/20 0.73
MAPT P10636 4/20 0.68
ALDH1A1 P00352 3/20 0.62
GPR3 P46089 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MCL1 Q07820 1/20 0.60
CYP1A2 P05177 3/20 0.59
BAX Q07812 2/20 0.57
TDP1 Q9NUW8 2/20 0.57

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
SCHEMBL8668444 0.92 PTPRC (0.93) PTPRCS100A4BCHEACHECES1
SCHEMBL6940816 0.92 PTPRC (1.00) PTPRCS100A4BCHEACHECES1
SCHEMBL229511 0.88 PTPRC (0.93) PTPRCS100A4BCHEACHECES1
SCHEMBL30096355 0.88 PTPRC (1.00) PTPRCS100A4BCHEACHECES1
SCHEMBL31615476 0.88 PTPRC (0.93) PTPRCS100A4BCHEACHECES1
SCHEMBL2599395 0.88 PTPRC (1.00) PTPRCS100A4BCHEACHECES1
SCHEMBL14344701 0.86 PTPRC (0.66) PTPRCS100A4BCHEACHECES1
SCHEMBL6393406 0.86 PTPRC (0.65) PTPRCS100A4BCHEACHECES1
SCHEMBL5156700 0.85 PTPRC (0.89) PTPRCS100A4BCHEACHECES1
SCHEMBL6391559 0.85 PTGS2 (0.69) PTPRCS100A4BCHEACHECES1

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
CN-115006537-A Compositions and uses of alpha-adrenergic agents 利维申制药有限公司 2022-09-06 CN disclosed
US-11383084-B2 Treatment of dermatological conditions via neuromodulation PALO ALTO INVESTORS (US) 2022-07-12 US disclosed
US-20180311499-A1 Treatment of Dermatological Conditions via Neuromodulation PALO ALTO INVESTORS 2018-11-01 US disclosed
EP-2398764-B1 METHOD FOR MANUFACTURING 2-AMINOBIPHENYLS BASF SE (DE) 2014-11-26 EP disclosed
EP-2598146-A1 METHODS TO IDENTIFY TARGETS AND MOLECULES REGULATING PURINOSOMES AND THEIR USES Corning Incorporated (US) 2013-06-05 EP disclosed
WO-2012015599-A1 METHODS TO IDENTIFY TARGETS AND MOLECULES REGULATING PURINOSOMES AND THEIR USES CORNING INCORPORATED (US) 2012-02-02 WO disclosed
US-8101779-B2 Enantioselective synthesis of (+) and (–)-2-[1-(2,6-dichlorophenoxy)-ethyl]-1,3-diazacyclopent-2-ene UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-01-24 US disclosed
EP-2398764-A1 METHOD FOR PRODUCING 2-AMINOBIPHENYLENE BASF SE (DE) 2011-12-28 EP disclosed
WO-2010094736-A1 METHOD FOR PRODUCING 2-AMINOBIPHENYLENE BASF SE (DE) 2010-08-26 WO disclosed
WO-2010075275-A1 SELECTIVE RELEASE OF NON-RACEMIC MIXTURES OF TWO ENANTIOMERS FROM TABLETS AND CAPSULES USWORLDMEDS LLC (US) 2010-07-01 WO disclosed
US-20100087657-A1 ENANTIOSELECTIVE SYNTHESIS OF (+) AND (-)-2-[1-(2,6-DICHLOROPHENOXY)-ETHYL]-1,3-DIAZACYCLOPENT-2-3ENE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-04-08 US 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 (1 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-20100087657-A1 ENANTIOSELECTIVE SYNTHESIS OF (+) AND (-)-2-[1-(2,6-DICHLOROPHENOXY)-ETHYL]-1,3-DIAZACYCLOPENT-2-3ENE CYP2E1, CYP2D6, CYP2C9 PTPRC 2959/4885S100A4 4454/4885BCHE 355/4885

“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.