SCHEMBL3239188

SCHEMBL3239188

NC(=O)c1c(Cl)cc(Cl)c(O)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
GPR35 Q9HC97 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HIF1A Q16665 1/20 0.40
GRIN2D O15399 3/20 0.39
GRIN3B O60391 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39

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
SCHEMBL610592 0.84 TSHR (0.47) TSHRPOLBCYP1A2CYP2D6CYP2C9
SCHEMBL9132988 0.81 TSHR (0.60) TSHRKMT2AKDM4ETDP1CYP1A2
SCHEMBL31470133 0.79 SMN1; SMN2 (0.49) TSHRPOLBKMT2AKDM4ECTDSP1
SCHEMBL7902778 0.79 SMN1; SMN2 (0.49) TSHRPOLBKMT2AKDM4ECTDSP1
SCHEMBL29185997 0.77 ALDH1A1 (0.46) TSHRTDP1CYP1A2CYP2D6CYP2C9
SCHEMBL5064995 0.76 TSHR (0.72) TSHRPOLBKMT2ACYP1A2CYP2D6
SCHEMBL29186004 0.75 AKR1C2 (0.44) TSHRKMT2AKDM4ETDP1CYP1A2
SCHEMBL3239416 0.74 ALDH1A1 (0.48) TSHRPOLBKMT2ACTDSP1TDP1
SCHEMBL28030677 0.74 KMT2A (0.61) TSHRKMT2AGPR35ALDH1A1CYP3A4
SCHEMBL10495780 0.74 HSD17B10 (0.50) TSHRPOLBKMT2ACYP1A2CYP2C9

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
EP-1558585-B1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2013-09-25 EP disclosed
EP-1558585-B1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2013-09-25 EP 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
EP-2210892-A2 Neurologically-active compounds Prana Biotechnology Limited (AU) 2010-07-28 EP disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
EP-1558585-A4 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2008-07-02 EP disclosed
US-20060167000-A1 Neurologically-active compounds PRANA BIOTECHNOLOGY LIMITED (AU) 2006-07-27 US disclosed
WO-2005095360-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2005-10-13 WO disclosed
EP-1558585-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS Prana Biotechnology Ltd (AU) 2005-08-03 EP disclosed
WO-2004031161-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2004-04-15 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-20060167000-A1 Neurologically-active compounds ACHE, PSEN1, PSEN2 TSHR 4668/4885POLB 2647/4885KMT2A 2506/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 TSHR 4642/4885POLB 2953/4885KMT2A 2765/4885

“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.