SCHEMBL1750340

SCHEMBL1750340

COc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
ALDH1A1 P00352 9/20 0.63
NPBWR1 P48145 5/20 0.52
MCHR1 Q99705 4/20 0.52
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPK14 Q16539 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.43
GAA P10253 2/20 0.43
PAX8 Q06710 2/20 0.43
XBP1 P17861 2/20 0.43
MCL1 Q07820 1/20 0.42
S1PR4 O95977 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
SCHEMBL4060284 0.80 RAB9A (0.47) RAB9ASMN1; SMN2L3MBTL1ALDH1A1NPBWR1
SCHEMBL1749799 0.79 RAB9A (0.54) RAB9ASMN1; SMN2L3MBTL1ALDH1A1NPBWR1
SCHEMBL1751460 0.79 RAB9A (0.62) RAB9ASMN1; SMN2L3MBTL1ALDH1A1NPBWR1
SCHEMBL1750161 0.76 NPBWR1 (0.43) RAB9ASMN1; SMN2L3MBTL1ALDH1A1NPBWR1
SCHEMBL14385181 0.72 RAB9A (0.55) RAB9ASMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL4498149 0.72 RAB9A (0.55) RAB9ASMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL13219324 0.71 ALDH1A1 (0.66) RAB9ASMN1; SMN2ALDH1A1NPBWR1MCHR1
SCHEMBL11635867 0.70 ALDH1A1 (0.55) RAB9ASMN1; SMN2L3MBTL1ALDH1A1NPBWR1
SCHEMBL1751014 0.70 NPBWR1 (0.56) RAB9ASMN1; SMN2ALDH1A1NPBWR1MCHR1
SCHEMBL7910204 0.70 NPBWR1 (0.49) RAB9ASMN1; SMN2ALDH1A1NPBWR1MCHR1

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 8 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
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 4837/4885L3MBTL1 4422/4885
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR RAB9A 342/4885SMN1; SMN2 4837/4885L3MBTL1 4422/4885

“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.