SCHEMBL4718364

SCHEMBL4718364

N#CCc1cn(C(N)=O)c2cccc(Cl)c12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
RORC P51449 1/20 0.36
CFD P00746 16/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL4718308 0.83 P2RX7 (0.36) GRIA1CACNG8RORCCFDPTGDR2
SCHEMBL4720108 0.83 PTGDR2 (0.37) GRIA1CACNG8RORCPTGDR2
SCHEMBL4762925 0.73 HTR6 (0.42) GRIA1CACNG8RORC
SCHEMBL4717899 0.71 TAAR1 (0.49)
SCHEMBL11132912 0.70 MEN1 (0.39)
SCHEMBL22126531 0.70 MCL1 (0.40) RORCPTGDR2NOTUM
SCHEMBL28977326 0.67 NOTUM (0.47) PTGDR2NOTUM
SCHEMBL3562734 0.65 L3MBTL1 (0.45)
SCHEMBL26621992 0.65 KDM4E (0.47) GRIA1CACNG8RORC
SCHEMBL21585199 0.64 RORC (0.48) GRIA1CACNG8RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660484-B1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
EP-1660484-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-31 EP disclosed
US-6979696-B2 Method for detecting a gram-negative bacterial autoinducer molecule ROCHE PALO ALTO LLC (US) 2005-12-27 US disclosed
WO-2004099189-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPH-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 WO disclosed
US-20040224973-A1 Substituted indoles as alpha-1 agonists ROCHE PALO ALTO LLC 2004-11-11 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-20040224973-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1D GRIA1 202/4885CACNG8 999/4885RORC 529/4885

“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.