SCHEMBL584949

SCHEMBL584949

CN(C)CCC[N+](C)(C)CCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCCC[N+](C)(C)CCCN(C)C)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.47
STAT1 P42224 1/20 0.47
CHEK2 O96017 1/20 0.39
ACHE P22303 3/20 0.39
ALOX5 P09917 1/20 0.38
LSS P48449 1/20 0.36
TOP1 P11387 2/20 0.35
TNKS O95271 1/20 0.35
BRAF P15056 4/20 0.35
TLR7 Q9NYK1 2/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
CXCR1 P25024 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Hydrochloric Acid SCHEMBL585263 0.99 STAT3 (0.46) STAT3STAT1CHEK2ACHEALOX5
Bromide SCHEMBL5015919 0.99 STAT3 (0.46) STAT3STAT1CHEK2ACHEALOX5
SCHEMBL12230357 0.96 STAT3 (0.43) STAT3STAT1CHEK2ACHEALOX5
SCHEMBL12057389 0.95 STAT3 (0.43) STAT3STAT1CHEK2ACHEALOX5
SCHEMBL584702 0.95 STAT3 (0.42) STAT3STAT1CHEK2ACHEALOX5
SCHEMBL586541 0.95 STAT3 (0.42) STAT3STAT1CHEK2ACHEALOX5
Hydrochloric Acid SCHEMBL585790 0.94 STAT3 (0.41) STAT3STAT1CHEK2ACHEALOX5
Hydrochloric Acid SCHEMBL586080 0.94 STAT3 (0.41) STAT3STAT1CHEK2ACHEALOX5
SCHEMBL12230353 0.94 STAT3 (0.43) STAT3STAT1CHEK2ACHEALOX5
SCHEMBL12427947 0.93 STAT3 (0.46) STAT3STAT1CHEK2ACHEALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2355816-B1 PORPHYRIN COMPOUNDS FOR KILLING, INHIBITING OR PREVENTING THE GROWTH OF MICROBIAL BIOFILMS DESTINY PHARMA LTD (GB) 2014-05-14 EP claimed
EP-1768666-B1 NOVEL USES OF PORPHYRIN COMPOUNDS DESTINY PHARMA LTD (GB) 2012-02-15 EP claimed
US-20110262511-A1 Novel Uses DESTINY PHARMA LIMITED (GB) 2011-10-27 US claimed
US-20080281091-A1 Process for the Preparation of Porphyrin Derivatives as Antimicrobial Agents by Photodynamic Therapy (Pdt) BRUNDISH DEREK 2008-11-13 US claimed
EP-1578750-B1 CATIONIC PORPHYRIN DERIVATIVES AS ANTIBACTERIAL AGENTS DESTINY PHARMA LTD (GB) 2007-11-21 EP claimed
US-9326511-B2 Methods of inhibiting microbial biofilms DESTINY PHARMA LIMITED (GB) 2016-05-03 US disclosed
EP-2355816-B1 PORPHYRIN COMPOUNDS FOR KILLING, INHIBITING OR PREVENTING THE GROWTH OF MICROBIAL BIOFILMS DESTINY PHARMA LTD (GB) 2014-05-14 EP disclosed
US-20110262511-A1 Novel Uses DESTINY PHARMA LIMITED (GB) 2011-10-27 US disclosed
EP-2355816-A2 NOVEL USES Destiny Pharma Limited (GB) 2011-08-17 EP disclosed
US-7977474-B2 Uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2011-07-12 US disclosed
WO-2010046663-A2 NOVEL USES DESTINY PHARMA LIMITED (GB) 2010-04-29 WO disclosed
US-20080281091-A1 Process for the Preparation of Porphyrin Derivatives as Antimicrobial Agents by Photodynamic Therapy (Pdt) BRUNDISH DEREK 2008-11-13 US disclosed
US-20080281091-A1 Process for the Preparation of Porphyrin Derivatives as Antimicrobial Agents by Photodynamic Therapy (Pdt) BRUNDISH DEREK 2008-11-13 US disclosed
EP-1963333-A1 PROCESS FOR THE PREPARATION OF PORPHYRIN DERIVATIVES AS ANTIMICROBIAL AGENTS BY PHOTODYNAMIC THERAPY (PDT) Destiny Pharma Limited (GB) 2008-09-03 EP 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
WO-2007074340-A1 PROCESS FOR THE PREPARATION OF PORPHYRIN DERIVATIVES AS ANTIMICROBIAL AGENTS BY PHOTODYNAMIC THERAPY (PDT) DESTINY PHARMA LIMITED (GB) 2007-07-05 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 (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-20110262511-A1 Novel Uses XDH, F12, ZFX STAT3 2084/4885STAT1 1133/4885CHEK2 3899/4885
US-20070167619-A1 Novel uses of porphyrin compounds PPOX, ZFX, ZYX STAT3 529/4885STAT1 176/4885CHEK2 1079/4885

“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.