SCHEMBL2549051

SCHEMBL2549051

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.60
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TERT O14746 3/20 0.44
▸ CYCS P99999 3/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ AKT1 P31749 1/20 0.37

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
SCHEMBL9230080 1.00 TOP1 (0.60) TOP1CYP3A4CYP2D6TERTCYCS
SCHEMBL10050511 0.94 TOP1 (0.54) TOP1CYP3A4CYP2D6TERTCYCS
SCHEMBL14528653 0.86 RAB9A (0.46) TOP1NPC1MAPTRAB9A
SCHEMBL10050507 0.81 TERT (0.41) TOP1TERTCYCSENPP2ABCG2
Pyridine SCHEMBL28010654 0.80 CYP2D6 (0.49) TOP1CYP3A4CYP2D6TERTCYCS
SCHEMBL30968084 0.79 TOP1 (0.84) TOP1TERTCYCSENPP2ABCG2
SCHEMBL29961137 0.79 TOP1 (0.78) TOP1TERTCYCSENPP2ABCG2
SCHEMBL245937 0.79 TOP1 (0.78) TOP1TERTCYCSENPP2ABCG2
SCHEMBL10050486 0.79 RAB9A (0.51) TOP1NPC1MAPTRAB9A
SCHEMBL28027946 0.79 TOP1 (0.47) TOP1TERTCYCSENPP2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346875-B1 METALLOPORPHYRIN DERIVATIVES, NANOPARTICLES COMPRISING THE SAME, AND USE THEREOF FOR PHOTODYNAMIC THERAPY CENTRE NAT RECH SCIENT (FR) 2014-03-19 — — EP disclosed
EP-2346875-B1 METALLOPORPHYRIN DERIVATIVES, NANOPARTICLES COMPRISING THE SAME, AND USE THEREOF FOR PHOTODYNAMIC THERAPY CENTRE NAT RECH SCIENT (FR) 2014-03-19 — — EP disclosed
US-8425879-B2 Metalloporphyrin derivatives, nanoparticles comprising the same, and use thereof for photodynamic therapy CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-04-23 — — US disclosed
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-20110262357-A1 Metalloporphyrin Derivatives, Nanoparticles Comprising the Same, and Use Thereof for Photodynamic Therapy CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-10-27 — — US disclosed
WO-2010029232-A1 METALLOPORPHYRIN DERIVATIVES, NANOPARTICLES COMPRISING THE SAME, AND USE THEREOF FOR PHOTODYNAMIC THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-03-18 — — WO 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 (2 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-20110262357-A1 Metalloporphyrin Derivatives, Nanoparticles Comprising the Same, and Use Thereof for Photodynamic Therapy PPOX, PPIF, PPIL4 TOP1 2238/4885CYP3A4 2867/4885CYP2D6 3931/4885
US-20090314660-A1 Novel Electropolymerisable Monomers, Soluble in an Aqueous Solution and Comprising a Metalloporphyrin EPS15, PPOX, ACR TOP1 4796/4885CYP3A4 503/4885CYP2D6 3253/4885

“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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