SCHEMBL8238178

SCHEMBL8238178

O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.72
SMN1; SMN2 Q16637 2/20 0.61
THRB P10828 1/20 0.55
HTR1A P08908 1/20 0.52
HTR2A P28223 1/20 0.52
HTR7 P34969 1/20 0.52
HTR6 P50406 1/20 0.52
ALDH1A1 P00352 4/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HSP90AA1 P07900 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3831330 0.90 GRM5 (0.81) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL8231576 0.90 GRM5 (0.81) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL8239118 0.89 GRM5 (0.78) GRM5SMN1; SMN2THRBALDH1A1HPGD
SCHEMBL4711209 0.89 GRM5 (0.73) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL13677105 0.89 GRM5 (0.61) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL13677104 0.87 THRB (0.61) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL13677075 0.87 THRB (0.73) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL8240607 0.86 GRM5 (0.65) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL13677091 0.85 GRM5 (0.58) GRM5THRB
SCHEMBL8239063 0.85 GRM5 (0.62) GRM5THRBHTR1AHTR2AHTR7

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
US-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2009-10-29 US disclosed
US-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2009-10-29 US disclosed
EP-1962849-B1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT (HU) 2009-09-30 EP disclosed
WO-2007072093-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2007-06-28 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-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS GRM5, GRIK5, GRM1 GRM5 1/4885SMN1; SMN2 841/4885THRB 670/4885

“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.