SCHEMBL585272

SCHEMBL585272

BrCCCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OCCCBr)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ HDAC6 Q9UBN7 11/20 0.35
▸ HDAC3 O15379 10/20 0.35
▸ HDAC4 P56524 10/20 0.35
▸ HDAC1 Q13547 10/20 0.35
▸ HDAC7 Q8WUI4 10/20 0.35
▸ HDAC2 Q92769 10/20 0.35
▸ HDAC10 Q969S8 10/20 0.35
▸ HDAC11 Q96DB2 10/20 0.35
▸ HDAC8 Q9BY41 10/20 0.35
▸ HDAC9 Q9UKV0 10/20 0.35
▸ HDAC5 Q9UQL6 10/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ CHEK2 O96017 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ DYRK3 O43781 1/20 0.32

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
SCHEMBL1854874 0.89 STAT3 (0.55) STAT3STAT1HDAC6HDAC3HDAC4
SCHEMBL585086 0.88 STAT3 (0.55) STAT3STAT1
SCHEMBL1861760 0.86 STAT3 (0.52) STAT3STAT1MAOAMAOBCHEK2
SCHEMBL584793 0.86 STAT3 (0.52) STAT3STAT1HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL584374 0.85 STAT3 (0.51) STAT3STAT1HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL29883333 0.85 STAT3 (0.51) STAT3STAT1HDAC6HDAC3HDAC4
SCHEMBL1856477 0.85 STAT3 (0.50) STAT3STAT1HDAC6HDAC3HDAC4
SCHEMBL4745594 0.84 STAT3 (0.52) STAT3STAT1MAOAHDAC6HDAC3
SCHEMBL12633119 0.84 STAT3 (0.49) STAT3STAT1HDAC6HDAC3HDAC4
SCHEMBL17722671 0.84 STAT3 (0.49) STAT3STAT1HDAC6HDAC3HDAC4

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 18 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
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-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
US-7977474-B2 Uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2011-07-12 — — 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
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-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 — — US disclosed
US-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 — — US disclosed
US-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 — — US disclosed
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 — — US disclosed
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 — — US disclosed
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 — — US 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 (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-20070167619-A1 Novel uses of porphyrin compounds PPOX, ZFX, ZYX STAT3 529/4885STAT1 176/4885MAOA 1422/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH STAT3 2198/4885STAT1 2107/4885MAOA 621/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR STAT3 2340/4885STAT1 1254/4885MAOA 1018/4885

“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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