SCHEMBL3219263

SCHEMBL3219263

Nc1cccc(-c2ccc3nc([C@@H]4CCCN4C(=O)OCc4ccccc4)[nH]c3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.50
USP30 Q70CQ3 1/20 0.49
HCRTR1 O43613 12/20 0.46
HCRTR2 O43614 12/20 0.46
CPT1A P50416 1/20 0.46
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL3219106 1.00 PRCP (0.50) PRCPUSP30HCRTR1HCRTR2CPT1A
SCHEMBL3226034 0.93 USP30 (0.51) PRCPUSP30HCRTR1HCRTR2
SCHEMBL3209122 0.93 USP30 (0.51) PRCPUSP30HCRTR1HCRTR2
SCHEMBL3216206 0.93 USP30 (0.56) PRCPUSP30HCRTR1HCRTR2
SCHEMBL3225751 0.93 USP30 (0.56) PRCPUSP30HCRTR1HCRTR2
SCHEMBL12332122 0.92 USP30 (0.55) PRCPUSP30HCRTR1HCRTR2
SCHEMBL3222534 0.91 USP30 (0.51) PRCPUSP30HCRTR1HCRTR2
SCHEMBL3208255 0.91 USP30 (0.51) PRCPUSP30HCRTR1HCRTR2
SCHEMBL12798600 0.90 USP30 (0.50) PRCPUSP30HCRTR1HCRTR2
SCHEMBL3215857 0.89 USP30 (0.49) USP30HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
EP-2097405-A2 ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-09 EP disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 PRCP 983/4885USP30 4072/4885HCRTR1 2912/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 PRCP 983/4885USP30 4072/4885HCRTR1 2912/4885

“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.