SCHEMBL4644957

SCHEMBL4644957

O=[N+]([O-])c1cc(O)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.60
CTSL P07711 4/20 0.60
POLB P06746 2/20 0.58
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
ABCB1 P08183 1/20 0.50
CYP19A1 P11511 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BACE1 P56817 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
Acetic Acid SCHEMBL9653816 0.94 CTSV (0.59) CTSVCTSLPOLBMEN1MAPT
SCHEMBL1040246 0.88 CTSV (0.51) CTSVCTSLPOLBMEN1MAPT
SCHEMBL30184780 0.88 CTSV (0.51) CTSVCTSLPOLBMEN1MAPT
SCHEMBL30074356 0.87 CTSV (0.50) CTSVCTSLPOLBMEN1MAPT
SCHEMBL8055303 0.87 CTSV (0.50) CTSVCTSLPOLBMEN1MAPT
SCHEMBL4126272 0.85 CTSV (0.58) CTSVCTSLPOLBMEN1MAPT
SCHEMBL30008652 0.85 CTSV (0.58) CTSVCTSLPOLBMEN1MAPT
SCHEMBL5421861 0.85 POLB (0.58) CTSVCTSLPOLBMEN1MAPT
SCHEMBL7825518 0.85 MEN1 (0.67) CTSVCTSLPOLBMEN1MAPT
SCHEMBL29502844 0.85 POLB (0.58) CTSVCTSLPOLBMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102584610-A Bisphenol 2 (m-amino p-hydroxy phenyl) ether hydrochloride and preparation method and application thereof SICHUAN EM INSULATING TECHNOLOGY CO LTD 2012-07-18 CN claimed
CN-102584610-A Bisphenol 2 (m-amino p-hydroxy phenyl) ether hydrochloride and preparation method and application thereof SICHUAN EM INSULATING TECHNOLOGY CO LTD 2012-07-18 CN disclosed
CN-101321743-A 1,1, 3-trioxo-1, 2, 5-thiadiazolidines as PTP-enzyme inhibitors and their use NOVARTIS AG (CH) 2008-12-10 CN disclosed
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1960377-A1 l , l , 3-TRI0X0-l , 2 , 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS Novartis AG (CH) 2008-08-27 EP disclosed
CN-100376544-C Insulated material monomer in aluminium and copper technology INFINEON TECHNOLOGIES AG (DE) 2008-03-26 CN disclosed
WO-2007067614-A1 l, l, 3-TRI0X0-l, 2, 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS NOVARTIS AG (CH) 2007-06-14 WO disclosed
CN-1262547-C Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative HOFFMANN LA ROCHE (CH) 2006-07-05 CN disclosed
CN-1176910-C Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives - 2004-11-24 CN disclosed
CN-1515559-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
CN-1515562-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
CN-1470501-A Insulated material monomer in aluminium and copper technology 因芬尼昂技术股份公司 2004-01-28 CN disclosed
US-6569504-B1 Dimers of LC-like compounds in which the monomers are linked to each other through a high birefringence moiety (dimerization linker) DISPLAYTECH, INC. 2003-05-27 US disclosed
EP-0905121-B1 o-nitro(thio)phenol compounds and their preparation INFINEON TECHNOLOGIES AG (DE) 2002-07-03 EP disclosed
US-6139771-A USEFUL IN ELECTOOPTICAL AND NON-LINEAR OPTICAL APPLICATIONS DISPLAYTECH, INC. (US) 2000-10-31 US disclosed
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
CN-1203228-A Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives HOFFMANN LA ROCHE (CH) 1998-12-30 CN disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 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 (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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 CTSV 3535/4885CTSL 3846/4885POLB 3613/4885

“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.