SCHEMBL4413776

SCHEMBL4413776

C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.53
▸ STAT3 P40763 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ CYCS P99999 3/20 0.51
▸ TERT O14746 4/20 0.50
▸ ENPP2 Q13822 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL16270682 0.98 CYCS (0.54) TOP1STAT3STAT1CYCSTERT
SCHEMBL19901985 0.92 TOP1 (0.60) TOP1STAT3STAT1CYCSTERT
SCHEMBL8676967 0.92 STAT3 (0.46) TOP1STAT3STAT1CYCSTERT
SCHEMBL19326350 0.92 TOP1 (0.49) TOP1STAT3STAT1CYCSTERT
SCHEMBL1419546 0.90 STAT3 (0.41) TOP1STAT3STAT1CYCS
SCHEMBL17934754 0.88 TOP1 (0.75) TOP1STAT3STAT1CYCSTERT
SCHEMBL16923752 0.88 TOP1 (0.46) TOP1STAT3STAT1CYCSTERT
SCHEMBL14181439 0.88 STAT3 (0.46) TOP1STAT3STAT1CYCSTERT
SCHEMBL29405434 0.88 TOP1 (0.64) TOP1STAT3STAT1CYCSTERT
SCHEMBL30136 0.88 TOP1 (0.64) TOP1STAT3STAT1CYCSTERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8096419-B2 Compound PCI BIOTECH AS (NO) 2012-01-17 — — US disclosed
US-20110034325-A1 HIGH PERFORMANCE ORR (OXYGEN REDUCTION REACTION) PGM (PT GROUP METAL) FREE CATALYST ACTA S.P.A. (IT) 2011-02-10 — — US disclosed
US-20100121255-A1 COMPOUND THE NORWEGIAN RADIUM HOSPITAL RESEARCH FOUNDATION (NO) 2010-05-13 — — US disclosed
US-7662807-B2 Sulphonated meso-tetraphenyl chlorins THE NORWEGIAN RADIUM HOSPITAL RESEARCH FOUNDATION (NO) 2010-02-16 — — US disclosed
EP-1472259-B1 TETRAPYRROLIC MACROCYCLES AS PHOTODYNAMIC AGENTS CIPAN COMP IND PROD (PT) 2009-09-02 — — EP disclosed
US-7375215-B2 tetrakis(hydroxyphenyl)chlorin, bacteriochlorin or isobacteriochlorin, derivatised at one or more of the hydroxy groups by addition reaction with a diisocyanate, diisothiocyanate or isocyanate; photodynamic therapy of cancerous and other diseased tissues BIOSCIENCE TECHNOLOGY INVESTMENT HOLDINGS LIMITED (MY) 2008-05-20 — — US disclosed
EP-1472259-A1 TETRAPYRROLIC MACROCYCLES AS PHOTODYNAMIC AGENTS CIPAN-Companhia Industrial Produtora De Antibioticos, S.A. (PT) 2004-11-03 — — EP disclosed
WO-2003064427-A1 TETRAPYRROLIC MACROCYCLES AS PHOTODYNAMIC AGENTS CIPAN - COMPANHIA INDUSTRIAL PRODUTORA DE ANTIBIOTICOS, S.A. (PT) 2003-08-07 — — 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-20100121255-A1 COMPOUND TPP2, TPP1, PTDSS2 TOP1 2295/4885STAT3 3739/4885STAT1 3277/4885

“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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