SCHEMBL13588973

SCHEMBL13588973

O=C(Nc1cccc(-c2ccc3[nH]ccc3c2)c1)[C@@H]1CC(O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.61
▸ ENPP2 Q13822 3/20 0.48
▸ MGLL Q99685 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ RCOR1 Q9UKL0 1/20 0.40
▸ F10 P00742 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 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
SCHEMBL4393296 1.00 POLB (0.61) POLBENPP2MGLLMEN1KMT2A
SCHEMBL13588976 0.90 POLB (0.51) POLBENPP2MGLLALDH1A1TSHR
SCHEMBL4388296 0.90 POLB (0.51) POLBENPP2MGLLALDH1A1TSHR
SCHEMBL4386769 0.87 ALDH1A1 (0.51) POLBENPP2MGLLMEN1KMT2A
SCHEMBL13588851 0.86 NPSR1 (0.58) ENPP2MEN1KMT2AALDH1A1TSHR
SCHEMBL4386504 0.86 NPSR1 (0.58) ENPP2MEN1KMT2AALDH1A1TSHR
SCHEMBL4386061 0.85 ENPP2 (0.48) POLBENPP2MGLLALDH1A1TSHR
SCHEMBL4389357 0.85 NPSR1 (0.55) ENPP2MEN1KMT2AALDH1A1TSHR
SCHEMBL13588974 0.85 ENPP2 (0.48) POLBENPP2MGLLALDH1A1TSHR
SCHEMBL13588972 0.84 ENPP2 (0.48) POLBENPP2MGLLALDH1A1TSHR

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 POLB 1382/4885ENPP2 3704/4885MGLL 2636/4885

“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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