SCHEMBL1749910

SCHEMBL1749910

O=c1c(Br)c(Br)cnn1-c1cc(F)cc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.60
SMN1; SMN2 Q16637 11/20 0.60
NPC1 O15118 11/20 0.60
ALDH1A1 P00352 9/20 0.60
MAPT P10636 7/20 0.60
LMNA P02545 6/20 0.60
HTT P42858 5/20 0.60
NPSR1 Q6W5P4 5/20 0.60
RXFP1 Q9HBX9 2/20 0.60
PAX8 Q06710 2/20 0.60
XBP1 P17861 3/20 0.57
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPK14 Q16539 4/20 0.40
S1PR4 O95977 3/20 0.39
S1PR1 P21453 3/20 0.39
HPGD P15428 2/20 0.39
PPARG P37231 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL4740875 0.84 RAB9A (0.67) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1749940 0.83 ALDH1A1 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4187625 0.83 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1751460 0.81 RAB9A (0.62) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4191812 0.79 RAB9A (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4184776 0.75 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4743412 0.75 RAB9A (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1750846 0.74 ALDH1A1 (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4675793 0.72 RAB9A (0.71) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL11582931 0.72 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT

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 RAB9A 342/4885SMN1; SMN2 4837/4885NPC1 740/4885
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR RAB9A 342/4885SMN1; SMN2 4837/4885NPC1 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.