SCHEMBL4413916

SCHEMBL4413916

C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccccc2)C=C1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.69
▸ STAT3 P40763 1/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ CYCS P99999 3/20 0.54
▸ TERT O14746 4/20 0.54
▸ ENPP2 Q13822 1/20 0.49
▸ RAF1 P04049 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ NOTUM Q6P988 1/20 0.47

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
SCHEMBL29724706 1.00 TOP1 (0.69) TOP1STAT3STAT1CYCSTERT
SCHEMBL4409175 1.00 TOP1 (0.69) TOP1STAT3STAT1CYCSTERT
SCHEMBL4410144 1.00 TOP1 (0.69) TOP1STAT3STAT1CYCSTERT
SCHEMBL29883623 1.00 TOP1 (0.69) TOP1STAT3STAT1CYCSTERT
SCHEMBL4407506 1.00 TOP1 (0.69) TOP1STAT3STAT1CYCSTERT
SCHEMBL27822907 0.98 TOP1 (0.68) TOP1STAT3STAT1CYCSTERT
SCHEMBL245937 0.93 TOP1 (0.78) TOP1CYCSTERTENPP2
SCHEMBL29961137 0.93 TOP1 (0.78) TOP1CYCSTERTENPP2
SCHEMBL31313616 0.91 TOP1 (0.76) TOP1CYCSTERTENPP2
SCHEMBL31313917 0.91 TOP1 (0.76) TOP1CYCSTERTENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053812-B Metal iridium-containing single pyridyl porphyrin crystal material and preparation method thereof 江苏大学 2020-08-28 — — CN claimed
CN-102180883-A Substituted porphyrin gold (III) compounds with anticancer activity and preparation method thereof UNIV YANGZHOU 2011-09-14 — — CN claimed
CN-113444099-B Reaction type hydrogen sulfide fluorescent probe and preparation and application thereof 浙江大学城市学院 2022-06-21 — — CN disclosed
CN-113444099-A Reaction type hydrogen sulfide fluorescent probe and preparation and application thereof 浙江大学城市学院 2021-09-28 — — CN disclosed
CN-109053812-B Metal iridium-containing single pyridyl porphyrin crystal material and preparation method thereof 江苏大学 2020-08-28 — — CN disclosed
CN-109053812-B Metal iridium-containing single pyridyl porphyrin crystal material and preparation method thereof 江苏大学 2020-08-28 — — CN disclosed
CN-102167704-B Water-soluble porphyrin gold (III) anticancer compounds and preparation method thereof UNIV YANGZHOU 2014-05-14 — — CN disclosed
CN-102180883-B Substituted porphyrin gold (III) compounds with anticancer activity and preparation method thereof UNIV YANGZHOU 2013-04-17 — — CN disclosed
US-8071760-B2 Boron-containing porphyrin compounds and their uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2011-12-06 — — US disclosed
CN-102180883-A Substituted porphyrin gold (III) compounds with anticancer activity and preparation method thereof UNIV YANGZHOU 2011-09-14 — — CN disclosed
CN-102167704-A Water-soluble porphyrin gold (III) anticancer compounds and preparation method thereof UNIV YANGZHOU 2011-08-31 — — CN disclosed
US-20090318680-A1 Boron-Containing Porphyrin Compounds and Their Uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2009-12-24 — — US disclosed
EP-1940416-A2 BORON-CONTAINING PORPHYRIN COMPOUNDS AND THEIR USES Board of Supervisors of Louisiana State University and Agricultural and Mechanical College (US) 2008-07-09 — — EP disclosed
WO-2007050564-A2 BORON-CONTAINING PORPHYRIN COMPOUNDS AND THEIR USES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2007-05-03 — — 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-20090318680-A1 Boron-Containing Porphyrin Compounds and Their Uses HMBS, HCCS, PPOX TOP1 816/4885STAT3 3344/4885STAT1 3758/4885

“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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