SCHEMBL1750846

SCHEMBL1750846

O=c1c(Br)c(Br)cnn1-c1cc(F)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 5/20 0.50
HTT P42858 5/20 0.50
NPSR1 Q6W5P4 5/20 0.50
LMNA P02545 5/20 0.50
RXFP1 Q9HBX9 2/20 0.50
PAX8 Q06710 2/20 0.50
XBP1 P17861 3/20 0.48
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK14 Q16539 10/20 0.42
S1PR4 O95977 2/20 0.41
HPGD P15428 2/20 0.41
S1PR1 P21453 2/20 0.41
PPARG P37231 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 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
SCHEMBL1750580 0.85 ESR1 (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4745202 0.81 NPC1 (0.61) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4187625 0.78 SMN1; SMN2 (0.71) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4191812 0.77 RAB9A (0.60) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7528525 0.76 NPC1 (0.54) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4740875 0.76 RAB9A (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1749910 0.74 RAB9A (0.60) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4184776 0.74 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1750412 0.73 MAPT (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2559318 0.72 MAPK14 (0.35) ALDH1A1L3MBTL1MAPK14

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 ALDH1A1 3297/4885RAB9A 342/4885NPC1 740/4885
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR ALDH1A1 3297/4885RAB9A 342/4885NPC1 740/4885

“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.