SCHEMBL15729868

SCHEMBL15729868

O=C(O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(/C=C/c4ccc(Nc5nc(Cl)nc(Nc6ccc(C(=O)O)cc6)n5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ENPP2 Q13822 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ RHOA P61586 1/20 0.43
▸ CA12 O43570 8/20 0.43
▸ CA1 P00915 8/20 0.43
▸ CA2 P00918 8/20 0.43
▸ CA9 Q16790 8/20 0.43
▸ USP2 O75604 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ CHAT P28329 1/20 0.42
▸ PDE4B Q07343 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL14602564 0.90 CHAT (0.44) ENPP2POLBCA12CA1CA2
SCHEMBL11599622 0.90 CA12 (0.54) NPC1RAB9AENPP2POLBCA12
SCHEMBL2200140 0.90 CA12 (0.54) NPC1RAB9AENPP2POLBCA12
SCHEMBL14602563 0.89 ENPP2 (0.46) ENPP2POLBCA12CA1CA2
SCHEMBL1536256 0.88 CA12 (0.56) NPC1RAB9AENPP2CA12CA1
SCHEMBL1536252 0.88 CA12 (0.53) NPC1RAB9AENPP2POLBCA12
Potassium SCHEMBL2203007 0.88 CA12 (0.53) NPC1RAB9AENPP2POLBCA12
SCHEMBL11879462 0.88 CA12 (0.53) NPC1RAB9AENPP2POLBCA12
SCHEMBL18043806 0.88 CA12 (0.47) ENPP2POLBCA12CA1CA2
SCHEMBL2205601 0.88 CA12 (0.47) ENPP2POLBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376405-B2 Bis-(triazinylamino)-stilbene derivatives CLARIANT INTERNATIONAL LTD (CH) 2016-06-28 — — US disclosed
EP-2518058-B1 Novel bis-(triazinylamino)-stilbene derivatives CLARIANT INT LTD (CH) 2014-10-29 — — EP disclosed
US-20140142305-A1 NOVEL BIS-(TRIAZINYLAMINO)-STILBENE DERIVATIVES CLARIANT INTERNATIONAL LTD (CH) 2014-05-22 — — 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-20140142305-A1 NOVEL BIS-(TRIAZINYLAMINO)-STILBENE DERIVATIVES TSN, SMARCB1, TXLNA NPC1 3512/4885RAB9A 3250/4885SMN1; SMN2 3223/4885

“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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