SCHEMBL4939366

SCHEMBL4939366

O=C(Cl)CNCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RECQL P46063 1/20 0.49
DPP7 Q9UHL4 2/20 0.47
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH7 P40394 1/20 0.47
MAOA P21397 1/20 0.47
HTT P42858 1/20 0.47
THRB P10828 1/20 0.46
IDO1 P14902 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL156664 0.83 MEN1 (0.56) MEN1KMT2ATDP1ALDH1A1HDAC8
SCHEMBL5181873 0.83 THRB (0.56) MEN1KMT2ATDP1ALDH1A1HDAC8
Hydrochloric Acid SCHEMBL1252387 0.81 MEN1 (0.54) MEN1KMT2ATDP1ALDH1A1HDAC8
Ammonia Solution, Strong SCHEMBL27486735 0.81 MEN1 (0.54) MEN1KMT2ATDP1ALDH1A1HDAC8
Bicarbonate SCHEMBL23420914 0.80 HDAC8 (0.64) MEN1KMT2ATDP1HDAC8HDAC6
Bicarbonate SCHEMBL11577277 0.80 HDAC8 (0.64) MEN1KMT2ATDP1HDAC8HDAC6
SCHEMBL87424 0.79 SPHK2 (0.65) MEN1KMT2ATDP1ALDH1A1HDAC8
SCHEMBL4602978 0.79 MEN1 (0.52) MEN1KMT2ATDP1ALDH1A1HDAC8
SCHEMBL19942807 0.79 MEN1 (0.52) MEN1KMT2ATDP1ALDH1A1HDAC8
SCHEMBL12809838 0.79 MEN1 (0.52) MEN1KMT2ATDP1ALDH1A1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737831-B1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2013-05-22 EP disclosed
CN-101018772-B Neuroactive compounds PRANA BIOTECHNOLOGY LTD 2012-10-10 CN 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-20110312995-A1 BRIDGED AND FUSED HETEROCYCLIC ANTIDIABETIC COMPOUNDS SCHERING CORPORATION (US) 2011-12-22 US disclosed
US-20080119470-A1 Neurologically-Active Compounds XOMA TECHNOLOGY LTD. 2008-05-22 US disclosed
CN-101018772-A Neuroactive compounds PRANA BIOTECHNOLOGY LTD (AU) 2007-08-15 CN disclosed
US-4873357-A Trifluoro acetyl-cyano-aniline intermediates for dopamine-βhydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1989-10-10 US disclosed
US-4719223-A ENZYME INHIBITORS, HYPOTENSIVE, CARDIOTONIC DIURETIC SMITHKLINE BECKMAN CORPORATION (US) 1988-01-12 US disclosed
EP-0221778-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1987-05-13 EP 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-20080119470-A1 Neurologically-Active Compounds ACHE, PSEN1, PSEN2 MEN1 1779/4885KMT2A 1955/4885TDP1 225/4885
US-20110312995-A1 BRIDGED AND FUSED HETEROCYCLIC ANTIDIABETIC COMPOUNDS GPR119, FFAR2, FFAR1 MEN1 3869/4885KMT2A 3265/4885TDP1 4771/4885

“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.