SCHEMBL1750161

SCHEMBL1750161

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
RAB9A P51151 9/20 0.42
SMN1; SMN2 Q16637 8/20 0.42
NPC1 O15118 8/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 4/20 0.42
NPSR1 Q6W5P4 4/20 0.42
PAX8 Q06710 4/20 0.42
LMNA P02545 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
XBP1 P17861 3/20 0.41
PFKFB3 Q16875 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MITF O75030 1/20 0.36
S1PR4 O95977 1/20 0.36
THRB P10828 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK14 Q16539 1/20 0.35

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
SCHEMBL1751460 0.83 RAB9A (0.62) NPBWR1MCHR1RAB9ASMN1; SMN2NPC1
SCHEMBL4060284 0.80 RAB9A (0.47) NPBWR1MCHR1RAB9ASMN1; SMN2NPC1
SCHEMBL1751055 0.77 ESR1 (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1750340 0.76 RAB9A (0.65) NPBWR1MCHR1RAB9ASMN1; SMN2NPC1
SCHEMBL6378562 0.74 MAPK14 (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1750580 0.71 ESR1 (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1750028 0.70 NPBWR1 (0.39) NPBWR1MCHR1RAB9ASMN1; SMN2NPC1
SCHEMBL4675793 0.68 RAB9A (0.71) NPBWR1MCHR1RAB9ASMN1; SMN2NPC1
SCHEMBL21467735 0.68 SMN1; SMN2 (0.54) NPBWR1MCHR1RAB9ASMN1; SMN2NPC1
SCHEMBL9664481 0.68 RAB9A (0.54) NPBWR1MCHR1RAB9ASMN1; SMN2NPC1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR NPBWR1 414/4885MCHR1 507/4885RAB9A 342/4885

“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.