SCHEMBL4699554

SCHEMBL4699554

O=S(=O)(c1cnc2c(Cl)cccc2c1)N1CCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.69
JAK2 O60674 2/20 0.69
ALDH1A1 P00352 5/20 0.64
MCOLN3 Q8TDD5 1/20 0.64
L3MBTL1 Q9Y468 3/20 0.60
MAPK1 P28482 2/20 0.60
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 3/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
AKR1C3 P42330 1/20 0.49
AKR1C1 Q04828 1/20 0.49
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
STAT3 P40763 1/20 0.46

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
SCHEMBL4699249 0.84 HTR6 (0.60) PKMJAK2ALDH1A1MCOLN3L3MBTL1
Hydrochloric Acid SCHEMBL4700533 0.83 HTR6 (0.59) PKMJAK2ALDH1A1MCOLN3L3MBTL1
SCHEMBL4702019 0.83 HTR6 (0.67) PKMJAK2ALDH1A1MCOLN3L3MBTL1
Hydrochloric Acid SCHEMBL4697947 0.82 HTR6 (0.66) PKMJAK2ALDH1A1MCOLN3L3MBTL1
SCHEMBL5820238 0.81 PKM (0.53) PKMJAK2ALDH1A1MCOLN3L3MBTL1
SCHEMBL4700089 0.77 POLB (0.56) ALDH1A1MCOLN3L3MBTL1MAPK1KMT2A
SCHEMBL4698210 0.76 PKM (0.48) PKMJAK2ALDH1A1MCOLN3L3MBTL1
SCHEMBL14459524 0.75 KMT2A (0.65) PKMALDH1A1MAPK1KMT2AMEN1
SCHEMBL4700085 0.75 TSHR (0.51) PKMALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5757786 0.73 LMNA (0.45) PKMJAK2ALDH1A1MCOLN3L3MBTL1

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 PKM 1968/4885JAK2 2281/4885ALDH1A1 1637/4885

“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.