SCHEMBL4701358

SCHEMBL4701358

O=S(=O)(Cl)c1cnc2c(Cl)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2A P28223 4/20 0.39
HTR6 P50406 4/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
SLC40A1 Q9NP59 9/20 0.38
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
HTR2B P41595 1/20 0.35
HAVCR2 Q8TDQ0 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
NR4A2 P43354 1/20 0.34
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34

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
SCHEMBL26113214 0.83 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1HTR2AHTR6
SCHEMBL30680058 0.83 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1HTR2AHTR6
SCHEMBL19343130 0.82 SLC40A1 (0.42) ALDH1A1HSD17B10TDP1HTR2AHTR6
SCHEMBL4232976 0.80 HTR2A (0.47) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3208018 0.78 HTR2A (0.60) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4700089 0.78 POLB (0.56) ALDH1A1L3MBTL1
SCHEMBL4700085 0.76 TSHR (0.51) ALDH1A1HSD17B10L3MBTL1
SCHEMBL3064501 0.75 SLC40A1 (0.54) ALDH1A1TDP1SLC40A1
SCHEMBL1771001 0.74 CA12 (0.51) ALDH1A1HSD17B10TDP1SLC40A1
Hydrochloric Acid SCHEMBL3625136 0.72 CA12 (0.50) ALDH1A1HSD17B10TDP1SLC40A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660483-B1 8-(1-PIPERAZINYL)-QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-12-24 EP disclosed
US-20080275040-A1 8-(1-Piperazinyl)-Quinoline Derivatives and Their Use in the Treatment of Cns Disorders GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
EP-1660483-A1 8-(1-PIPERAZINYL)-QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-05-31 EP disclosed
WO-2005021530-A1 8- (1-PIPERAZINYL)- QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-03-10 WO 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 (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-20080275040-A1 8-(1-Piperazinyl)-Quinoline Derivatives and Their Use in the Treatment of Cns Disorders PMP22, AQP4, SLC18A2 ALDH1A1 1637/4885HSD17B10 2993/4885TDP1 760/4885

“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.