SCHEMBL4617657

SCHEMBL4617657

Oc1ccc(CCCl)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.46
SNCA P37840 2/20 0.44
IGF1R P08069 4/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
ALOX5 P09917 1/20 0.42
BACE1 P56817 1/20 0.42
DBH P09172 1/20 0.41
ADRA2A P08913 2/20 0.41
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
SLC6A2 P23975 2/20 0.41
MAPK1 P28482 2/20 0.41
DRD3 P35462 2/20 0.41
RECQL P46063 2/20 0.41
SLC6A3 Q01959 2/20 0.41

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
SCHEMBL18986571 0.88 ALOX15 (0.50) ALOX15IGF1RKDM4EMAPTALDH1A1
SCHEMBL11528973 0.87 ALOX15 (0.54) ALOX15SNCAIGF1RKDM4EMAPT
SCHEMBL3190378 0.83 ALOX15 (0.58) ALOX15SNCAIGF1RKDM4EMAPT
SCHEMBL4977889 0.81 KDM4E (0.65) ALOX15SNCAIGF1RKDM4EMAPT
SCHEMBL3699399 0.79 CNR1 (0.64) ALOX15IGF1RKDM4EALOX5BACE1
SCHEMBL517444 0.79 TAAR1 (0.67) ALOX15SNCAKDM4EMAPTALDH1A1
SCHEMBL5031178 0.78 CA1 (0.61) ALOX15SNCAKDM4EMAPTGAA
SCHEMBL21693872 0.78 ALOX15 (0.52) ALOX15IGF1RKDM4EMAPTALDH1A1
SCHEMBL18986912 0.77 CA2 (0.55) ALOX15IGF1RKDM4EMAPTALDH1A1
SCHEMBL7115874 0.76 NPC1 (0.55) ALOX15IGF1RKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390370-B1 BIS-TRIAZOLE COMPOUNDS WITH ANTI-BIOFILM AND ANTI-CORROSION PROPERTIES UNIV DE TOULON (FR) 2021-02-03 EP disclosed
US-20180370953-A1 Bis-Triazole Compounds with Anti-Biofilm and Anti-Corrosion Properties UNIVERSITÉ DE TOULON (FR) 2018-12-27 US disclosed
EP-3390370-A1 BIS-TRIAZOLE COMPOUNDS WITH ANTI-BIOFILM AND ANTI-CORROSION PROPERTIES Université de Toulon (FR) 2018-10-24 EP disclosed
CN-108430979-A Double triazole compounds with antibiont film and anti-corrosion performance 土伦·瓦尔大学 2018-08-21 CN disclosed
WO-2017102883-A1 BIS-TRIAZOLE COMPOUNDS WITH ANTI-BIOFILM AND ANTI-CORROSION PROPERTIES UNIVERSITÉ DE TOULON (FR) 2017-06-22 WO disclosed
US-20090221702-A1 COMPOUNDS IMPERIAL INNOVATIONS LIMITED (GB) 2009-09-03 US disclosed
US-20090221702-A1 COMPOUNDS IMPERIAL INNOVATIONS LIMITED (GB) 2009-09-03 US disclosed
EP-1879562-A2 PHENOL DERIVATIVES AND THEIR USE TO MODULATE PKB ACTIVITY Imperial Innovations Limited (GB) 2008-01-23 EP disclosed
WO-2006097744-A2 PHENOL DERIVATIVES AND THEIR USE TO MODULATE PKB ACTIVITY IMPERIAL INNOVATIONS LIMITED (GB) 2006-09-21 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-20180370953-A1 Bis-Triazole Compounds with Anti-Biofilm and Anti-Corrosion Properties FHIT, FOS, BSG ALOX15 2199/4885SNCA 4437/4885IGF1R 3062/4885
US-20090221702-A1 COMPOUNDS NCEH1, NME2, HRH3 ALOX15 2010/4885SNCA 4122/4885IGF1R 663/4885

“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.