SCHEMBL10050496

SCHEMBL10050496

[C-]#[N+]c1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4ccc(C#N)cc4)c4nc(c(-c5ccc(OCCCN)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ TERT O14746 3/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TOP1 P11387 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KIT P10721 2/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL10050507 0.92 TERT (0.41) MAPTTERTCNR1ABCG2MEN1
SCHEMBL10050499 0.91 ABCG2 (0.41) TERTCNR1ABCG2MEN1KMT2A
SCHEMBL10050497 0.84 RAB9A (0.44) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL10075062 0.82 ABCG2 (0.47) TERTCNR1ABCG2MEN1KMT2A
SCHEMBL14528755 0.81 ABCG2 (0.40) MAPTTERTCNR1ABCG2MEN1
SCHEMBL10050511 0.80 TOP1 (0.54) MAPTTERTABCG2MEN1KMT2A
SCHEMBL10050500 0.80 MAPT (0.39) MAPTCNR1ABCG2ALDH1A1GRIN1
SCHEMBL10050498 0.79 RAB9A (0.43) MAPTNPSR1HRH2HRH1HRH3
SCHEMBL10074756 0.76 RAB9A (0.50) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL14350959 0.75 ABCG2 (0.44) MAPTTERTABCG2MEN1KMT2A

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 2 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-20090314660-A1 Novel Electropolymerisable Monomers, Soluble in an Aqueous Solution and Comprising a Metalloporphyrin BIOMERIEUX (FR) 2009-12-24 — — 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-20090314660-A1 Novel Electropolymerisable Monomers, Soluble in an Aqueous Solution and Comprising a Metalloporphyrin EPS15, PPOX, ACR MAPT 2894/4885TERT 1074/4885CNR1 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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