SCHEMBL5024607

SCHEMBL5024607

Cc1cc(N2CCCC2)c2ccc(NS(C)(=O)=O)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
NCF1 P14598 6/20 0.54
HTR1A P08908 2/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
HTR2C P28335 2/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50
MET P08581 1/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
USP2 O75604 2/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL5026866 0.85 ALDH1A1 (0.55) GAAHPGDNCF1LMNAHTT
SCHEMBL5022793 0.81 NCF1 (0.47) MAPK1NCF1HTR1AHTR1DHTR1B
Cyclopropane SCHEMBL5025453 0.80 NCF1 (0.61) GAAHPGDNCF1MEN1KMT2A
SCHEMBL5024375 0.79 NCF1 (0.67) MAPK1GAANCF1LMNAHTT
SCHEMBL5028658 0.78 HTR1A (0.52) NCF1HTR1AHTR1DHTR1BHTT
SCHEMBL5035802 0.78 NCF1 (0.54) MAPK1HPGDNCF1LMNAHTT
SCHEMBL5024484 0.77 HTR1A (0.52) NCF1HTR1AHTR1DHTR1BMEN1
SCHEMBL5025329 0.77 NCF1 (0.53) MAPK1GAANCF1MEN1KMT2A
SCHEMBL5024412 0.77 NCF1 (0.53) MAPK1GAANCF1LMNAHTT
SCHEMBL5022694 0.76 NCF1 (0.52) NCF1ADRB2ADRB1

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
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP claimed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP claimed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US claimed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO claimed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US claimed
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US 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-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R MAPK1 567/4885GAA 139/4885HPGD 991/4885

“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.