SCHEMBL584702

SCHEMBL584702

CCCCCCCCCCCCOc1ccc(-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 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
HTR1A P08908 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
THRA P10827 7/20 0.37
THRB P10828 6/20 0.37
CHEK2 O96017 1/20 0.36
ACHE P22303 3/20 0.36
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
ESR1 P03372 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35

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 SCHEMBL586080 0.99 STAT3 (0.41) STAT3STAT1HTR1AHTR1DHTR1B
SCHEMBL586541 0.98 STAT3 (0.42) STAT3STAT1HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL585790 0.97 STAT3 (0.41) STAT3STAT1HTR1AHTR1DHTR1B
SCHEMBL12057394 0.97 STAT3 (0.41) STAT3STAT1HTR1AHTR1DHTR1B
SCHEMBL584949 0.95 STAT3 (0.47) STAT3STAT1CHEK2ACHEALDH1A1
SCHEMBL15673545 0.94 STAT3 (0.46) STAT3STAT1HTR1AMLNRNR1I2
SCHEMBL17722680 0.94 STAT3 (0.46) STAT3STAT1HTR1AMLNRNR1I2
Bromide SCHEMBL5015919 0.94 STAT3 (0.46) STAT3STAT1CHEK2ACHEALDH1A1
Hydrochloric Acid SCHEMBL585263 0.94 STAT3 (0.46) STAT3STAT1CHEK2ACHEMAOA
SCHEMBL12057418 0.93 STAT3 (0.40) STAT3STAT1HTR1AHTR1DHTR1B

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 13 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
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-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 (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 1133/4885HTR1A 3917/4885
US-20070167619-A1 Novel uses of porphyrin compounds PPOX, ZFX, ZYX STAT3 529/4885STAT1 176/4885HTR1A 3348/4885

“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.