SCHEMBL3833749

SCHEMBL3833749

O=S(=O)(c1ccccc1)c1cc(N2CCCCC2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.61
L3MBTL1 Q9Y468 5/20 0.59
KDM4E B2RXH2 4/20 0.59
PIK3CA P42336 2/20 0.55
METAP1 P53582 1/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 3/20 0.54
USP2 O75604 2/20 0.54
HTT P42858 2/20 0.54
PKM P14618 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GRM5 P41594 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR6 P50406 1/20 0.49
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.47
ACHE P22303 1/20 0.47
ATM Q13315 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL3831791 1.00 NCF1 (0.61) NCF1L3MBTL1KDM4EPIK3CAMETAP1
SCHEMBL1776856 0.88 NCF1 (0.61) NCF1LMNAMAPK1USP2HTT
Hydrochloric Acid SCHEMBL1776289 0.87 NCF1 (0.60) NCF1LMNAMAPK1USP2HTT
SCHEMBL3833987 0.85 GRM5 (0.58) NCF1L3MBTL1KDM4EPIK3CALMNA
SCHEMBL3830512 0.75 POLB (0.54) KDM4EPIK3CALMNAMAPK1USP2
SCHEMBL9437189 0.75 L3MBTL1 (1.00) NCF1L3MBTL1KDM4EMETAP1LMNA
SCHEMBL30511704 0.74 NCF1 (0.97) NCF1L3MBTL1KDM4EMETAP1LMNA
SCHEMBL1775202 0.74 HTT (0.49) L3MBTL1KDM4EPIK3CALMNAMAPK1
SCHEMBL23412111 0.73 NCF1 (0.88) NCF1L3MBTL1KDM4EMETAP1HTT
SCHEMBL5065450 0.73 NCF1 (0.88) NCF1L3MBTL1KDM4ELMNAMAPK1

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 6 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
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

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 NCF1 3503/4885L3MBTL1 4390/4885KDM4E 3941/4885

“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.