SCHEMBL1596046

SCHEMBL1596046

CCOC(=O)[C@@H](N)Cc1c[nH]c2c(Br)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.50
TACR1 P25103 2/20 0.49
SOS2 Q07890 1/20 0.47
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
MPO P05164 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
TNF P01375 1/20 0.41
CLEC4M Q9H2X3 1/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1595190 0.89 SOS2 (0.45) SCN9ATACR1SOS2KDM4ELMNA
SCHEMBL27744607 0.89 SOS2 (0.45) SCN9ATACR1SOS2KDM4ELMNA
Hydrochloric Acid SCHEMBL3999371 0.88 TACR1 (0.44) SCN9ATACR1SOS2KDM4ELMNA
SCHEMBL19846987 0.85 SOS2 (0.48) TACR1SOS2KDM4ELMNAMAPT
SCHEMBL18029211 0.83 MAPT (0.62) SCN9ASOS2KDM4ELMNAMAPT
SCHEMBL1594831 0.83 MAPT (0.62) SCN9ASOS2KDM4ELMNAMAPT
SCHEMBL1594834 0.83 MAPT (0.62) SCN9ASOS2KDM4ELMNAMAPT
SCHEMBL1594839 0.81 SOS2 (0.45) TACR1SOS2KDM4ELMNAMAPT
SCHEMBL839065 0.80 TACR1 (0.72) SCN9ATACR1KDM4ELMNAMAPT
SCHEMBL133958 0.80 TACR1 (0.72) SCN9ATACR1KDM4ELMNAMAPT

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-1865950-B1 COMPOUNDS USEFUL AS MODULATORS OF THE PROTEASOME ACTIVITY CENTRE NAT RECH SCIENT (FR) 2013-08-28 EP disclosed
US-7919468-B2 Compounds useful as modulators of the proteasome activity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2011-04-05 US disclosed
US-7919468-B2 Compounds useful as modulators of the proteasome activity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2011-04-05 US disclosed
US-20090069222-A1 Compounds Useful as Modulators of the Proteasome Activity CENTRE NATIONAL DE AL RECHERCHE SCIENTIFIQUE (FR) 2009-03-12 US disclosed
US-20090069222-A1 Compounds Useful as Modulators of the Proteasome Activity CENTRE NATIONAL DE AL RECHERCHE SCIENTIFIQUE (FR) 2009-03-12 US disclosed
EP-1865950-A1 COMPOUNDS USEFUL AS MODULATORS OF THE PROTEASOME ACTIVITY The Centre National de la Recherche Scientifique (FR) 2007-12-19 EP disclosed
WO-2006105811-A1 COMPOUNDS USEFUL AS MODULATORS OF THE PROTEASOME ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-10-12 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-20090069222-A1 Compounds Useful as Modulators of the Proteasome Activity PSMB10, PSMB11, PSMB6 SCN9A 2198/4885TACR1 3193/4885SOS2 3352/4885

“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.