SCHEMBL584664

SCHEMBL584664

CCCCCCCCCCCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OCCC(N)(CCN(CC)CC)CCN(CC)CC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CHEK2 O96017 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAP4K4 O95819 2/20 0.31
▸ PIM1 P11309 2/20 0.31
▸ PIM3 Q86V86 2/20 0.31
▸ AURKB Q96GD4 2/20 0.31
▸ CLK4 Q9HAZ1 2/20 0.31
▸ STK17A Q9UEE5 2/20 0.31
▸ MAP4K5 Q9Y4K4 2/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31

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
SCHEMBL584663 0.89 STAT3 (0.44) STAT3STAT1ADORA2AADORA1TSHR
SCHEMBL12057412 0.85 STAT3 (0.46) STAT3STAT1TSHRCHEK2THRA
SCHEMBL584662 0.83 STAT3 (0.39) STAT3STAT1ADORA2AADORA1TSHR
SCHEMBL12057410 0.82 STAT3 (0.47) STAT3STAT1TSHRTHRATHRB
SCHEMBL2202843 0.79 STAT3 (0.47) STAT3STAT1TSHRPPARGPPARA
SCHEMBL1861760 0.79 STAT3 (0.52) STAT3STAT1ADORA2AADORA1SMN1; SMN2
SCHEMBL29395084 0.78 STAT3 (0.50) STAT3STAT1TSHRSMN1; SMN2GPBAR1
SCHEMBL17722671 0.78 STAT3 (0.49) STAT3STAT1TSHRSMN1; SMN2PPARG
SCHEMBL585272 0.77 STAT3 (0.55) STAT3STAT1CHEK2MAP4K4PIM1
SCHEMBL28879055 0.77 STAT3 (0.49) STAT3STAT1TSHRSMN1; SMN2GPBAR1

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-1768666-B1 NOVEL USES OF PORPHYRIN COMPOUNDS DESTINY PHARMA LTD (GB) 2012-02-15 — — EP disclosed
US-8084602-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (CH) 2011-12-27 — — US disclosed
US-7977474-B2 Uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2011-07-12 — — US disclosed
EP-1897883-A2 Cationic porphyrin derivatives as antibacterial agents Destiny Pharma Limited (GB) 2008-03-12 — — EP disclosed
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy DESTINY PHARMA LIMITED 2007-12-06 — — US disclosed
EP-1578750-B1 CATIONIC PORPHYRIN DERIVATIVES AS ANTIBACTERIAL AGENTS DESTINY PHARMA LTD (GB) 2007-11-21 — — EP disclosed
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 — — US disclosed
EP-1768666-A1 NOVEL USES OF PORPHYRIN COMPOUNDS Destiny Pharma Limited (GB) 2007-04-04 — — EP disclosed
WO-2006000765-A1 NOVEL USES DESTINY PHARMA LIMITED (GB) 2006-01-05 — — WO disclosed
US-20040143001-A1 Novel compounds and uses thereof DESTINY PHARMA LIMITED 2004-07-22 — — 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 (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-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH STAT3 2198/4885STAT1 2107/4885ADORA2A 2385/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR STAT3 2340/4885STAT1 1254/4885ADORA2A 2882/4885

“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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