SCHEMBL3138460

SCHEMBL3138460

O=C(Nc1ccc(-c2ccc3[nH]ccc3c2)cc1)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ KDM1A O60341 1/20 0.59
▸ RCOR1 Q9UKL0 1/20 0.59
▸ GFER P55789 1/20 0.54
▸ ENPP2 Q13822 1/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CTSK P43235 2/20 0.49
▸ CTRB1 P17538 1/20 0.49
▸ EP300 Q09472 1/20 0.48
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47

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
SCHEMBL13588856 1.00 KDM4E (0.61) KDM4ELMNAHSD17B10NPSR1ALDH1A1
SCHEMBL4386504 0.93 NPSR1 (0.58) KDM4ELMNAHSD17B10NPSR1ALDH1A1
SCHEMBL13588851 0.93 NPSR1 (0.58) KDM4ELMNAHSD17B10NPSR1ALDH1A1
SCHEMBL4388900 0.91 NPSR1 (0.58) KDM4ELMNAHSD17B10NPSR1ALDH1A1
SCHEMBL13588983 0.91 NPSR1 (0.58) KDM4ELMNAHSD17B10NPSR1ALDH1A1
SCHEMBL13588981 0.91 NPSR1 (0.58) KDM4ELMNAHSD17B10NPSR1ALDH1A1
SCHEMBL4391219 0.91 NPSR1 (0.58) KDM4ELMNAHSD17B10NPSR1ALDH1A1
SCHEMBL4389357 0.91 NPSR1 (0.55) KDM4ELMNAHSD17B10NPSR1ALDH1A1
SCHEMBL13588982 0.89 NPSR1 (0.72) KDM4ELMNAHSD17B10NPSR1ALDH1A1
SCHEMBL13589564 0.89 NPSR1 (0.55) KDM4ELMNAHSD17B10NPSR1ALDH1A1

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-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US claimed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 — — US disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 — — US disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 — — EP disclosed
US-20070265265-A1 N-(5-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
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 — — 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 (3 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 KDM4E 1389/4885LMNA 1290/4885HSD17B10 4303/4885
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 KDM4E 838/4885LMNA 1094/4885HSD17B10 4112/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 KDM4E 838/4885LMNA 1094/4885HSD17B10 4112/4885

“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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