SCHEMBL10050507

SCHEMBL10050507

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ TOP1 P11387 2/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYCS P99999 2/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.36
▸ KIT P10721 2/20 0.36
▸ ENPP2 Q13822 1/20 0.36

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
SCHEMBL10050496 0.92 MAPT (0.36) TERTABCG2CNR1TOP1MEN1
SCHEMBL10075062 0.89 ABCG2 (0.47) TERTABCG2CNR1TOP1MEN1
SCHEMBL14528755 0.88 ABCG2 (0.40) TERTABCG2CNR1TOP1MEN1
SCHEMBL10050511 0.87 TOP1 (0.54) TERTABCG2TOP1MEN1KMT2A
SCHEMBL10074756 0.82 RAB9A (0.50) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL2549051 0.81 TOP1 (0.60) TERTABCG2TOP1MAPTKDM4E
SCHEMBL9230080 0.81 TOP1 (0.60) TERTABCG2TOP1MAPTKDM4E
SCHEMBL14350959 0.81 ABCG2 (0.44) TERTABCG2TOP1MEN1KMT2A
SCHEMBL10050499 0.81 ABCG2 (0.41) TERTABCG2CNR1TOP1MEN1
SCHEMBL949511 0.79 TERT (0.57) TERTABCG2TOP1MAPTKDM4E

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 TERT 1074/4885ABCG2 703/4885CNR1 3831/4885

“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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