SCHEMBL4392318

SCHEMBL4392318

COC(=O)N1CCCC1C(=O)Nc1cccc(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ HCRTR1 O43613 1/20 0.47
▸ HCRTR2 O43614 1/20 0.47
▸ NPSR1 Q6W5P4 6/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP2C9 P11712 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ CFD P00746 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
SCHEMBL13588979 1.00 EP300 (0.56) EP300ALDH1A1GAAHCRTR1HCRTR2
SCHEMBL4386504 0.87 NPSR1 (0.58) EP300ALDH1A1GAAHCRTR1HCRTR2
SCHEMBL13588851 0.87 NPSR1 (0.58) EP300ALDH1A1GAAHCRTR1HCRTR2
SCHEMBL13588970 0.84 HCRTR1 (0.55) EP300ALDH1A1HCRTR1HCRTR2TSHR
SCHEMBL4389357 0.84 NPSR1 (0.55) ALDH1A1GAAHCRTR1HCRTR2NPSR1
SCHEMBL4386769 0.81 ALDH1A1 (0.51) ALDH1A1HCRTR1HCRTR2NPSR1POLB
SCHEMBL4383075 0.81 NPSR1 (0.59) ALDH1A1GAAHCRTR1HCRTR2NPSR1
SCHEMBL4383080 0.81 NPSR1 (0.59) ALDH1A1GAAHCRTR1HCRTR2NPSR1
SCHEMBL13588982 0.80 NPSR1 (0.72) EP300ALDH1A1NPSR1CYP2C9POLB
SCHEMBL4391245 0.80 NPSR1 (0.72) EP300ALDH1A1NPSR1CYP2C9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US claimed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 — — US 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-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L EP300 1384/4885ALDH1A1 4167/4885GAA 940/4885

“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.

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