SCHEMBL8241027

SCHEMBL8241027

Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.64
LMNA P02545 3/20 0.64
GRM5 P41594 8/20 0.62
ALDH1A1 P00352 4/20 0.58
HTT P42858 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
THRB P10828 1/20 0.53
CES2 O00748 2/20 0.52
POLB P06746 1/20 0.50

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
SCHEMBL8240615 1.00 TP53 (0.64) TP53LMNAGRM5ALDH1A1HTT
SCHEMBL8242937 0.93 GRM5 (0.69) TP53LMNAGRM5ALDH1A1HTT
SCHEMBL23261869 0.91 TP53 (0.74) TP53LMNAGRM5ALDH1A1HTT
SCHEMBL30764173 0.91 TP53 (0.74) TP53LMNAGRM5ALDH1A1HTT
SCHEMBL8238645 0.91 GRM5 (0.62) TP53LMNAGRM5ALDH1A1HTT
SCHEMBL8239561 0.90 GRM5 (0.66) TP53LMNAGRM5ALDH1A1HTT
SCHEMBL8240653 0.89 LMNA (0.81) TP53LMNAGRM5ALDH1A1HTT
SCHEMBL3832737 0.89 GRM5 (0.76) TP53LMNAGRM5ALDH1A1HTT
SCHEMBL3834057 0.88 GRM5 (0.81) TP53LMNAGRM5ALDH1A1HTT
SCHEMBL3831244 0.88 GRM5 (0.81) TP53LMNAGRM5ALDH1A1HTT

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 TP53 4885/4885LMNA 3617/4885GRM5 1/4885

“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.