SCHEMBL4621603

SCHEMBL4621603

O=C1CCc2cccc([N+](=O)[O-])c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
RECQL P46063 1/20 0.54
MCL1 Q07820 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
S100A4 P26447 2/20 0.52
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
PTPRC P08575 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
GPR35 Q9HC97 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL10566080 0.89 ACHE (0.53) ACHEMAPTKMT2ARECQLMCL1
SCHEMBL30740520 0.83 MAPT (0.66) ACHEMAPTKMT2ARECQLMCL1
SCHEMBL8597074 0.81 MAPT (0.74) ACHEMAPTKMT2ARECQLMCL1
SCHEMBL31456585 0.80 S100A4 (0.55) ACHEMAPTKMT2ARECQLMCL1
SCHEMBL28381941 0.76 ACHE (0.58) ACHEMAPTKMT2ARECQLMCL1
SCHEMBL4718488 0.76 ACHE (0.50) ACHEMAPTKMT2ARECQLMCL1
SCHEMBL3039191 0.75 TDP1 (0.67) ACHEMAPTKMT2ARECQLMCL1
SCHEMBL16451423 0.74 MAPT (0.50) ACHEMAPTKMT2ARECQLMCL1
SCHEMBL22463101 0.74 ACHE (0.48) ACHEMAPTKMT2ARECQLMCL1
SCHEMBL31303745 0.74 ACHE (0.48) ACHEMAPTKMT2ARECQLMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970716-B Organic compound and application thereof in organic electroluminescent device 石家庄诚志永华显示材料有限公司 2020-07-24 CN disclosed
EP-1883632-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2008-02-06 EP disclosed
WO-2006116563-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-11-02 WO disclosed
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol AMGEN INC. 2006-10-26 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-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol TRPV1, HRH2, TRPA1 ACHE 237/4885MAPT 192/4885KMT2A 2920/4885

“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.