SCHEMBL1161513

SCHEMBL1161513

Cn1ncc2c[c]c(F)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
APP P05067 1/20 0.34
MAOB P27338 2/20 0.33
NOTUM Q6P988 2/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7 P36402 1/20 0.33
CDC7 O00311 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
AR P10275 2/20 0.32
MAOA P21397 1/20 0.32
DRD4 P21917 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MAPK1 P28482 1/20 0.31
CACNA1H O95180 1/20 0.30
HTR2A P28223 2/20 0.30

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
SCHEMBL25411271 0.85 TRPA1 (0.40) TRPA1APPMAOBNOTUMCTNNB1
SCHEMBL15551227 0.79 NOTUM (0.34) TRPA1MAOBNOTUMCTNNB1TCF7
SCHEMBL20719306 0.70 HTR2A (0.37) NOTUMCACNA1HHTR2AHTR2C
SCHEMBL25859519 0.69 HTR2C (0.57) TRPA1NOTUMERCC1ERCC4MAPK1
SCHEMBL28904374 0.68 ERCC1 (0.49) TRPA1APPNOTUMERCC1ERCC4
SCHEMBL1225425 0.68 TRPA1 (0.35) TRPA1APPMAOBNOTUMCTNNB1
SCHEMBL20563529 0.68 CYP2A6 (0.41) APPMAOBHTR2AHTR2C
SCHEMBL12877854 0.67 MAOB (0.39) TRPA1APPMAOBNOTUMCTNNB1
SCHEMBL24195801 0.67 MAOB (0.39) TRPA1APPMAOBCTNNB1TCF7
SCHEMBL24196291 0.67 MAOB (0.39) TRPA1APPMAOBCTNNB1TCF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240197682-A1 METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240201205-A1 METHOD FOR DETECTING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
WO-2024059845-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-21 WO disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 US disclosed
EP-2462143-B1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES AS C-MET TYROSINE KINASE MODULATORS NOVARTIS AG (CH) 2013-05-29 EP disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8389526-B2 3-heteroarylmethyl-imidazo[1,2-b]pyridazin-6-yl derivatives NOVARTIS AG (CH) 2013-03-05 US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 US disclosed
EP-2467383-A1 HETEROCYCLIC OXIME COMPOUNDS Novartis AG (CH) 2012-06-27 EP disclosed
EP-2462143-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES AS C-MET TYROSINE KINASE MODULATORS Novartis AG (CH) 2012-06-13 EP disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
WO-2011020861-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-02-24 WO disclosed
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES NOVARTIS AG (CH) 2011-02-17 US disclosed
WO-2011015652-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES AS C-MET TYROSINE KINASE MODULATORS NOVARTIS AG (CH) 2011-02-10 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 (5 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 TRPA1 1993/4885APP 10/4885MAOB 3757/4885
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES MET, ERBB2, ABL1 TRPA1 3882/4885APP 3544/4885MAOB 1174/4885
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 TRPA1 3650/4885APP 2650/4885MAOB 112/4885
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 TRPA1 3650/4885APP 2650/4885MAOB 112/4885
US-20240197682-A1 METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS PRNP, PSEN1, SNCA TRPA1 2426/4885APP 5/4885MAOB 2078/4885

“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.