SCHEMBL10050508

SCHEMBL10050508

COc1ccc(-c2c3nc(c(-c4ccc(C#N)cc4)c4ccc([nH]4)c(-c4ccc(OCCCNC(=O)Cc5cc[nH]c5)cc4)c4nc(c(-c5ccc(C#N)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM5C P41229 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL10050500 0.94 MAPT (0.39) MAPTPOLBABCG2MMP3GRIN1
SCHEMBL10050505 0.91 MAPT (0.41) MAPTPOLBABCG2ALDH1A1PTGS2
SCHEMBL10050512 0.89 TERT (0.43) MAPTABCG2ALDH1A1PTGS2
SCHEMBL10050492 0.86 TOP1 (0.41) MAPTABCG2
SCHEMBL10050506 0.85 TERT (0.46) MAPTABCG2
SCHEMBL14528755 0.80 ABCG2 (0.40) MAPTPOLBABCG2MMP3GRIN1
SCHEMBL10050507 0.77 TERT (0.41) MAPTABCG2GRIN1GRIN2BALDH1A1
SCHEMBL10075062 0.76 ABCG2 (0.47) ABCG2GSK3BCNR1
SCHEMBL10074756 0.73 RAB9A (0.50) MAPTPOLBALDH1A1
SCHEMBL10050496 0.71 MAPT (0.36) MAPTABCG2MMP3GRIN1GRIN2B

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 MAPT 2894/4885POLB 4299/4885ABCG2 703/4885

“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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