SCHEMBL585139

SCHEMBL585139

CCCCCCCCCCCc1c2nc(c(-c3cccc(OCCC[N+](C)(C)C)c3)c3ccc(cc4nc(c(-c5cccc(OCCC[N+](C)(C)C)c5)c5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30

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 SCHEMBL588717 0.99 STAT3 (0.41) STAT3STAT1PPARGPPARAGCGR
SCHEMBL585880 0.92 STAT3 (0.41) STAT3STAT1GABRA1GABRG2GABRB3
SCHEMBL10084843 0.91 STAT3 (0.40) STAT3STAT1
Hydrochloric Acid SCHEMBL583840 0.91 STAT3 (0.40) STAT3STAT1
SCHEMBL584793 0.88 STAT3 (0.52) STAT3STAT1PPARGPPARADHFR
SCHEMBL585041 0.88 STAT3 (0.46) STAT3STAT1GCGR
Hydrochloric Acid SCHEMBL29883333 0.87 STAT3 (0.51) STAT3STAT1PPARGPPARADHFR
Hydrochloric Acid SCHEMBL584374 0.87 STAT3 (0.51) STAT3STAT1PPARGPPARADHFR
SCHEMBL12057431 0.85 TSHR (0.41) PPARGPPARATSHRDHFRALOX5
Hydrochloric Acid SCHEMBL584953 0.85 CYP1A2 (0.40) PPARGPPARATSHRDHFRALOX5

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
US-9326511-B2 Methods of inhibiting microbial biofilms DESTINY PHARMA LIMITED (GB) 2016-05-03 — — US claimed
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
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
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-8084602-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (CH) 2011-12-27 — — US disclosed
US-20110262511-A1 Novel Uses DESTINY PHARMA LIMITED (GB) 2011-10-27 — — US 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-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy DESTINY PHARMA LIMITED 2007-12-06 — — 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

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-20110262511-A1 Novel Uses XDH, F12, ZFX STAT3 2084/4885STAT1 1133/4885PPARG 4535/4885
US-20070167619-A1 Novel uses of porphyrin compounds PPOX, ZFX, ZYX STAT3 529/4885STAT1 176/4885PPARG 1962/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR STAT3 2340/4885STAT1 1254/4885PPARG 930/4885

“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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