SCHEMBL6701537

SCHEMBL6701537

COc1c(Cl)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 4/20 0.48
TPMT P51580 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
RAF1 P04049 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL5691398 0.90 TPMT (0.49) TSHRMAPK1ALDH1A1TPMTGRIN2D
SCHEMBL7042203 0.84 TSHR (0.44) TSHRMAPK1ALDH1A1TPMTGRIN2D
SCHEMBL28043007 0.84 MAPK1 (0.49) TSHRMAPK1ALDH1A1TPMTGRIN2D
SCHEMBL10425942 0.82 TPMT (0.43) TSHRMAPK1ALDH1A1TPMTMAPT
SCHEMBL7045447 0.82 MAPT (0.53) TSHRMAPK1ALDH1A1TPMTGRIN2D
SCHEMBL12087101 0.82 TPMT (0.43) TSHRMAPK1ALDH1A1TPMTMAPT
SCHEMBL20523543 0.82 TPMT (0.43) TSHRMAPK1ALDH1A1TPMTGRIN2D
SCHEMBL29161426 0.82 TPMT (0.43) TSHRMAPK1ALDH1A1TPMTGRIN2D
SCHEMBL11741963 0.80 TDP1 (0.41) TSHRMAPK1ALDH1A1TPMTMAPT
SCHEMBL17744425 0.80 ALDH1A1 (0.47) TSHRMAPK1ALDH1A1TPMTGRIN2D

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
US-8084459-B2 8-hydroxy-3H-quinazolin-4-(thi)one derivatives; ability to enter CNS, sequester transition metals Cu, Zn and Fe from various amiloid beta entities, reducing their toxicity; neurodegenerative disorders; Alzheimer's, Parkinson's, Cruetzfeldt-Jacob diseases, amyotrophic lateral sclerosis, cataract PRANA BIOTECHNOLOGY LTD (AU) 2011-12-27 US disclosed
US-8084459-B2 8-hydroxy-3H-quinazolin-4-(thi)one derivatives; ability to enter CNS, sequester transition metals Cu, Zn and Fe from various amiloid beta entities, reducing their toxicity; neurodegenerative disorders; Alzheimer's, Parkinson's, Cruetzfeldt-Jacob diseases, amyotrophic lateral sclerosis, cataract PRANA BIOTECHNOLOGY LTD (AU) 2011-12-27 US disclosed
US-20080119470-A1 Neurologically-Active Compounds XOMA TECHNOLOGY LTD. 2008-05-22 US disclosed
US-20080119470-A1 Neurologically-Active Compounds XOMA TECHNOLOGY LTD. 2008-05-22 US disclosed
WO-2005095360-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2005-10-13 WO disclosed
US-20040034036-A1 N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide SMITHKLINE BEECHMAN P.L.C. (GB) 2004-02-19 US disclosed
WO-2003072198-A1 THE USE OF A BENZENESULFONAMIDE COMPOUND IN THE TREATMENT OF OBESITY GLAXO GROUP LIMITED (GB) 2003-09-04 WO disclosed
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 US disclosed
EP-1313720-A1 N-(3,5-DICHLORO-2-METHOXYPHENYL)-4-METHOXY-3-PIPERAZIN-1-YL-BENZENESULFONAMIDE SMITHKLINE BEECHAM PLC (GB) 2003-05-28 EP disclosed
WO-2002018358-A1 N-(3,5-DICHLORO-2-METHOXYPHENYL)-4-METHOXY-3-PIPERAZIN-1-YL-BENZENESULFONAMIDE SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-07 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 (3 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-20080119470-A1 Neurologically-Active Compounds ACHE, PSEN1, PSEN2 TSHR 4660/4885MAPK1 2356/4885ALDH1A1 1120/4885
US-20040034036-A1 N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide PMP22, CNR2, SNCA TSHR 2110/4885MAPK1 3099/4885ALDH1A1 964/4885
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 TSHR 1867/4885MAPK1 1634/4885ALDH1A1 1237/4885

“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.