SCHEMBL3240083

SCHEMBL3240083

Oc1cccc2cnc(-n3cccn3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.42
TSHR P16473 2/20 0.42
MMP2 P08253 1/20 0.42
CHRM1 P11229 1/20 0.42
COMT P21964 1/20 0.42
ADRA1A P35348 1/20 0.42
METAP1 P53582 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 9/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
G6PD P11413 1/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 2/20 0.41
ALOX12 P18054 3/20 0.37
ADORA2A P29274 2/20 0.37

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
SCHEMBL27621716 0.88 MAPK1 (0.39) METAP2TSHRMMP2CHRM1COMT
SCHEMBL4453814 0.75 GAA (0.50) METAP2TSHRMMP2CHRM1COMT
SCHEMBL3404328 0.72 ALDH1A1 (0.46) KDM4ELMNAALDH1A1KMT2AMAPT
SCHEMBL22689661 0.71 KDM4E (0.50) METAP2TSHRMMP2CHRM1COMT
SCHEMBL29578319 0.71 KDM4E (0.50) METAP2TSHRMMP2CHRM1COMT
SCHEMBL2561178 0.70 ADORA2A (0.44) KDM4ELMNAALDH1A1KMT2AMAPT
SCHEMBL2565463 0.69 MAPT (0.46) KDM4ELMNAALDH1A1KMT2AMAPT
SCHEMBL23242476 0.67 HTT (0.50) KDM4ELMNAALDH1A1KMT2AMAPT
SCHEMBL29956464 0.67 ADORA2A (0.37) KDM4ELMNAALDH1A1KMT2AMAPT
SCHEMBL1819465 0.67 LMNA (0.49) KDM4ELMNAALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 METAP2 2008/4885TSHR 4668/4885MMP2 1622/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 METAP2 1931/4885TSHR 4642/4885MMP2 1565/4885

“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.