SCHEMBL178914

SCHEMBL178914

O=c1cc(NCCCNCc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 1.00

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
Hydrochloric Acid SCHEMBL7821357 0.99 MARS1 (0.98) MARS1
SCHEMBL7821091 0.98 MARS1 (0.96) MARS1
SCHEMBL7806974 0.97 MARS1 (0.94) MARS1
SCHEMBL7815628 0.93 MARS1 (0.87) MARS1
SCHEMBL7817766 0.90 MARS1 (0.82) MARS1
SCHEMBL7821298 0.90 MARS1 (0.82) MARS1
SCHEMBL5668780 0.87 MARS1 (0.77) MARS1
SCHEMBL7818272 0.87 MARS1 (0.76) MARS1
SCHEMBL5669849 0.86 MARS1 (0.76) MARS1
SCHEMBL7814907 0.86 MARS1 (0.76) MARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351688-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP claimed
US-20040039017-A1 Urotensin-II receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-02-26 US claimed
EP-1351688-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2003-10-15 EP claimed
WO-2002047687-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-06-20 WO claimed
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
US-20040039017-A1 Urotensin-II receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-02-26 US disclosed
US-6320051-B1 AMINO(NH) OR OXYGEN(O) SUBSTITUTED, ENZYME INHIBITORS OF STAPHLOCCOCUS AUREUS METHIONYL T-RNA SYNTHETASE (MRS); ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-11-20 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 (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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 MARS1 55/4885
US-20040039017-A1 Urotensin-II receptor antagonists UTS2R, NTSR2, PLAUR MARS1 2410/4885

“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.