SCHEMBL13588970

SCHEMBL13588970

O=C(Nc1cccc(-c2ccc3[nH]ccc3c2)c1)[C@@H]1CCCN1C(=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 3/20 0.55
▸ HCRTR2 O43614 3/20 0.55
▸ EP300 Q09472 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ CFD P00746 1/20 0.46
▸ ENPP2 Q13822 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MC4R P32245 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL4386504 0.88 NPSR1 (0.58) HCRTR1HCRTR2EP300ALDH1A1ENPP2
SCHEMBL13588851 0.88 NPSR1 (0.58) HCRTR1HCRTR2EP300ALDH1A1ENPP2
SCHEMBL4389357 0.85 NPSR1 (0.55) HCRTR1HCRTR2ALDH1A1ENPP2MEN1
SCHEMBL13588977 0.85 NPC1 (0.58) ALDH1A1USP2MEN1KMT2A
SCHEMBL13588979 0.84 EP300 (0.56) HCRTR1HCRTR2EP300ALDH1A1CFD
SCHEMBL4392318 0.84 EP300 (0.56) HCRTR1HCRTR2EP300ALDH1A1CFD
SCHEMBL4386769 0.82 ALDH1A1 (0.51) HCRTR1HCRTR2ALDH1A1ENPP2MEN1
SCHEMBL474945 0.82 HCRTR1 (0.55) HCRTR1HCRTR2ALDH1A1MAPTUSP2
SCHEMBL10173437 0.82 HCRTR1 (0.55) HCRTR1HCRTR2ALDH1A1MAPTUSP2
SCHEMBL20966532 0.82 HCRTR1 (0.55) HCRTR1HCRTR2ALDH1A1MAPTUSP2

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 4 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 disclosed
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
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 HCRTR1 1582/4885HCRTR2 2570/4885EP300 1384/4885

“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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