SCHEMBL1750412

SCHEMBL1750412

O=c1c(Br)c(Br)cnn1-c1cc(Cl)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
HTT P42858 5/20 0.50
NPSR1 Q6W5P4 5/20 0.50
NPC1 O15118 5/20 0.50
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 4/20 0.50
RXFP1 Q9HBX9 2/20 0.50
PAX8 Q06710 2/20 0.50
XBP1 P17861 3/20 0.48
GAA P10253 1/20 0.43
MAPK14 Q16539 2/20 0.40
PDE9A O76083 1/20 0.39
ALOX12 P18054 1/20 0.38
S1PR4 O95977 2/20 0.37
S1PR1 P21453 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL4063236 0.85 HTT (0.43) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL1751055 0.85 ESR1 (0.42) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL1749799 0.82 RAB9A (0.54) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL11724179 0.80 HTT (0.54) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL4675793 0.78 RAB9A (0.71) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL4196334 0.77 SMN1; SMN2 (0.60) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL4191587 0.77 NPC1 (0.69) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL1751460 0.76 RAB9A (0.62) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL5844651 0.74 LMNA (0.48) NPSR1LMNAALOX12OPRM1PFKFB3
SCHEMBL4184776 0.74 ALDH1A1 (0.56) MAPTHTTNPSR1NPC1ALDH1A1

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
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2011-11-03 US claimed
US-7968711-B2 Isoprenyl-3-methylcyclohex-2-enyl)benzene-1,3-diol, 2-(3,5-Difluorophenyl)-5-hydroxypyridazin-3-one, 4-Bromo-2-(2,5-dichlorophenyl)-5-hydroxypyridazin-3-one; glaucoma or ocular hypertension ALLERGAN, INC. (US) 2011-06-28 US claimed
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 EP claimed
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2011-11-03 US disclosed
US-7968711-B2 Isoprenyl-3-methylcyclohex-2-enyl)benzene-1,3-diol, 2-(3,5-Difluorophenyl)-5-hydroxypyridazin-3-one, 4-Bromo-2-(2,5-dichlorophenyl)-5-hydroxypyridazin-3-one; glaucoma or ocular hypertension ALLERGAN, INC. (US) 2011-06-28 US disclosed
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 EP disclosed
EP-2010165-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2009-01-07 EP disclosed
WO-2007127711-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2007-11-08 WO disclosed
US-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2007-10-25 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-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR MAPT 1486/4885HTT 3128/4885NPSR1 700/4885
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR MAPT 1486/4885HTT 3128/4885NPSR1 700/4885

“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.