SCHEMBL3831330

SCHEMBL3831330

O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCCCCC1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.81
SMN1; SMN2 Q16637 3/20 0.68
THRB P10828 1/20 0.58
HTR1A P08908 1/20 0.55
HTR2A P28223 1/20 0.55
HTR7 P34969 1/20 0.55
HTR6 P50406 1/20 0.55
HTT P42858 3/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
CES2 O00748 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL8231576 1.00 GRM5 (0.81) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL3833745 0.90 GRM5 (1.00) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL3831787 0.90 GRM5 (1.00) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL8238178 0.90 GRM5 (0.72) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL8240607 0.90 GRM5 (0.65) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL3834057 0.88 GRM5 (0.81) GRM5SMN1; SMN2THRBHTTLMNA
SCHEMBL3831244 0.88 GRM5 (0.81) GRM5SMN1; SMN2THRBHTTLMNA
SCHEMBL3835269 0.86 THRB (0.64) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL8241578 0.86 GRM5 (0.60) GRM5SMN1; SMN2THRBHTR1AHTR2A
SCHEMBL13676934 0.84 THRB (0.78) GRM5SMN1; SMN2THRBHTR1AHTR2A

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 10 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 claimed
EP-1962849-B1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT (HU) 2009-09-30 EP claimed
CN-101346141-A Quinoline derivatives useful in the treatment of MGLUR5 receptor-mediated disorders RICHTER GEDEON NYRT (HU) 2009-01-14 CN claimed
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
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
EP-1962849-B1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT (HU) 2009-09-30 EP disclosed
CN-101346141-A Quinoline derivatives useful in the treatment of MGLUR5 receptor-mediated disorders RICHTER GEDEON NYRT (HU) 2009-01-14 CN 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.