SCHEMBL2173908

SCHEMBL2173908

C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccn1)c1nc(c(-c3ccccn3)c3ccc([nH]3)c2-c2ccccn2)C=C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.51
▸ STAT3 P40763 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ TERT O14746 4/20 0.50
▸ CYCS P99999 3/20 0.50
▸ ENPP2 Q13822 1/20 0.46
▸ NPY5R Q15761 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL14080609 1.00 TOP1 (0.51) TOP1STAT3STAT1TERTCYCS
SCHEMBL14080379 1.00 TOP1 (0.51) TOP1STAT3STAT1TERTCYCS
SCHEMBL25395411 1.00 TOP1 (0.51) TOP1STAT3STAT1TERTCYCS
SCHEMBL432185 0.92 KDM4E (0.46) TOP1TERTHTTSMN1; SMN2
SCHEMBL29822398 0.92 KDM4E (0.46) TOP1TERTHTTSMN1; SMN2
SCHEMBL18795854 0.91 TOP1 (0.52) TOP1STAT3STAT1TERTCYCS
SCHEMBL29560659 0.90 KDM4E (0.45) TOP1TERTHTTSMN1; SMN2
SCHEMBL9418754 0.90 KDM4E (0.45) TOP1TERTHTTSMN1; SMN2
SCHEMBL601668 0.90 KDM4E (0.45) TOP1TERTHTTSMN1; SMN2
SCHEMBL599851 0.90 KDM4E (0.45) TOP1TERTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376218-A1 METHOD FOR MANUFACTURING NITROGEN-CONTAINING CARBON ALLOY, NITROGEN-CONTAINING CARBON ALLOY, AND FUEL CELL CATALYST FUJIFILM CORPORATION (JP) 2015-12-31 — — US disclosed
US-20150376218-A1 METHOD FOR MANUFACTURING NITROGEN-CONTAINING CARBON ALLOY, NITROGEN-CONTAINING CARBON ALLOY, AND FUEL CELL CATALYST FUJIFILM CORPORATION (JP) 2015-12-31 — — US 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-8633123-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2014-01-21 — — US disclosed
US-8633123-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2014-01-21 — — US 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-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
EP-2346875-A1 METALLOPORPHYRIN DERIVATIVES, NANOPARTICLES COMPRISING THE SAME, AND USE THEREOF FOR PHOTODYNAMIC THERAPY Centre National de la Recherche Scientifique (FR) 2011-07-27 — — EP disclosed
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2011-06-23 — — US disclosed
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2011-06-23 — — US disclosed
WO-2010080881-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2010-07-15 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 2238/4885STAT3 1128/4885STAT1 1570/4885
US-20150376218-A1 METHOD FOR MANUFACTURING NITROGEN-CONTAINING CARBON ALLOY, NITROGEN-CONTAINING CARBON ALLOY, AND FUEL CELL CATALYST CA3, NIT2, NOX3 TOP1 2153/4885STAT3 2514/4885STAT1 4506/4885
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 TOP1 858/4885STAT3 4001/4885STAT1 4724/4885

“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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