SCHEMBL472055

SCHEMBL472055

C[CH]c1ccc2c(c1)OC([N+](=O)[O-])O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
VCP P55072 1/20 0.37
P2RY6 Q15077 6/20 0.34
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
CHRNB4 P30926 4/20 0.32
CHRNA3 P32297 4/20 0.32
MAPT P10636 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
PTGS2 P35354 2/20 0.30
PTPN1 P18031 1/20 0.30
DRD5 P21918 2/20 0.30
FBP1 P09467 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ADRA2A P08913 1/20 0.30
SIGMAR1 Q99720 1/20 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
SCHEMBL67998 0.73 P2RY6 (0.33) P2RY6CHRNB4CHRNA3TMEM97DRD5
SCHEMBL31711236 0.71 P2RY6 (0.41) NPC1RAB9AP2RY6ALDH1A1HSD17B10
SCHEMBL3200612 0.71 P2RY6 (0.41) NPC1RAB9AP2RY6ALDH1A1HSD17B10
SCHEMBL9392813 0.69 P2RY6 (0.41) P2RY6CYP3A4MAPTPTGS2DRD5
SCHEMBL5552767 0.65 MAPT (0.42) NPC1RAB9ACYP3A4MAPTALDH1A1
SCHEMBL4624307 0.64 MAPT (0.46) CYP3A4MAPTALDH1A1HSD17B10
SCHEMBL9562071 0.63 RAB9A (0.35) NPC1RAB9AP2RY6MAPTDRD5
SCHEMBL1987675 0.62 CYP3A4 (0.71) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL27680960 0.62 MAPT (0.53) RAB9ACYP3A4MAPTALDH1A1HSD17B10
SCHEMBL27932094 0.62 ALDH1A1 (0.56) NPC1RAB9ACYP3A4ATMMAPT

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 209 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
US-7244411-B2 Method of selective peptide isolation for the identification and quantitative analysis of proteins in complex mixtures CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2007-07-17 US claimed
EP-1785729-A2 A method for the selective isolation of multiply-charged peptides applicable in the quantitative proteomics CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CIGB) (CU) 2007-05-16 EP claimed
US-20070099304-A1 Method for the selective isolation of multiply-charged peptides applicable in the quantitative proteomics CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2007-05-03 US claimed
EP-1589341-A2 Method of selective peptide isolation for the identification and quantitative analysis of proteins in complex mixtures CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CIGB) (CU) 2005-10-26 EP claimed
US-20050176085-A1 Method of selective peptide isolation for the identification and quantitative analysis of proteins in complex mixtures CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2005-08-11 US claimed
US-12024580-B2 Resin composition suitable for printing and printing methods Montanuniversität Leoben (AT) 2024-07-02 US disclosed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
EP-3540013-B1 RESIN COMPOSITION SUITABLE FOR PRINTING AND PRINTING METHOD UTILIZING THE SAME MONTANUNIV LEOBEN (AT) 2022-05-25 EP disclosed
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags Roche Sequencing Solutions, Inc. (US) 2022-02-01 US disclosed
WO-2005011573-A2 NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
WO-2005010075-A2 METHOD FOR PREPARING FUNCTIONALIZED POLYMERS FROM POLYMER ALCOHOLS NEKTAR THERAPEUTICS AL, CORPORATION (US) 2005-02-03 WO disclosed
WO-2005000233-A2 NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-01-06 WO disclosed
EP-1485707-A2 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK Pharmaceuticals, Inc. (US) 2004-12-15 EP disclosed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO disclosed
US-6677163-B1 SIMPLE AND DURABLE IMMOBILIZATION OF BIOMOLECULES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2004-01-13 US disclosed
WO-2003092581-A2 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK PHARMACEUTICALS, INC. (US) 2003-11-13 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 (2 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-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 NPC1 1287/4885MTOR 1665/4885RAB9A 3139/4885
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags CACYBP, VIP, PTMS NPC1 4193/4885MTOR 3950/4885RAB9A 4752/4885

“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.