SCHEMBL10050492

SCHEMBL10050492

O=C(Cc1cc[nH]c1)NCCCOc1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ CYCS P99999 4/20 0.38
▸ ENPP2 Q13822 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TERT O14746 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KMT2A Q03164 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
SCHEMBL10050505 0.96 MAPT (0.41) TOP1ABCG2MAPTKMT2A
SCHEMBL10050506 0.89 TERT (0.46) TOP1ABCG2CYCSENPP2MAPT
SCHEMBL10050512 0.86 TERT (0.43) TOP1ABCG2MAPTTERTKMT2A
SCHEMBL10050508 0.86 MAPT (0.43) ABCG2MAPT
SCHEMBL10050500 0.81 MAPT (0.39) ABCG2MAPT
SCHEMBL12265142 0.81 TOP1 (0.41) TOP1ABCG2CYCSENPP2MAPK1
SCHEMBL10050490 0.78 TERT (0.37) TOP1ABCG2ENPP2MAPTTERT
SCHEMBL9230080 0.73 TOP1 (0.60) TOP1ABCG2CYCSENPP2MAPT
SCHEMBL2549051 0.73 TOP1 (0.60) TOP1ABCG2CYCSENPP2MAPT
SCHEMBL15580410 0.71 TOP1 (0.34) TOP1ABCG2

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
US-8092661-B2 Electropolymerisable monomers, soluble in an aqueous solution and comprising a metalloporphyrin BIOMERIEUX (FR) 2012-01-10 — — US disclosed
US-8092661-B2 Electropolymerisable monomers, soluble in an aqueous solution and comprising a metalloporphyrin BIOMERIEUX (FR) 2012-01-10 — — US disclosed
US-20090314660-A1 Novel Electropolymerisable Monomers, Soluble in an Aqueous Solution and Comprising a Metalloporphyrin BIOMERIEUX (FR) 2009-12-24 — — US disclosed
US-20090314660-A1 Novel Electropolymerisable Monomers, Soluble in an Aqueous Solution and Comprising a Metalloporphyrin BIOMERIEUX (FR) 2009-12-24 — — US disclosed
WO-2007051947-A1 NOVEL ELECTROPOLYMERISABLE MONOMERS WHICH ARE SOLUBLE IN AN AQUEOUS SOLUTION AND COMPRISE A METALLOPORPHYRINE BIOMERIEUX (FR) 2007-05-10 — — 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 (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-20090314660-A1 Novel Electropolymerisable Monomers, Soluble in an Aqueous Solution and Comprising a Metalloporphyrin EPS15, PPOX, ACR TOP1 4796/4885ABCG2 703/4885CYCS 2450/4885

“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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