SCHEMBL3839828

SCHEMBL3839828

CCOC(=O)C(=CNc1ccc2ccsc2c1)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.61
NPSR1 Q6W5P4 4/20 0.53
KDM4E B2RXH2 5/20 0.50
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.48
GAA P10253 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TDP1 Q9NUW8 2/20 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
SCHEMBL3839885 0.90 DHODH (0.61) DHODHNPSR1KDM4EMAPTKMT2A
SCHEMBL10861496 0.80 DHODH (0.70) DHODHNPSR1KDM4EMAPTKMT2A
SCHEMBL10863692 0.79 DHODH (0.90) DHODHNPSR1KDM4EMAPTKMT2A
SCHEMBL5664134 0.78 DHODH (0.39) DHODHNPSR1KDM4EMAPTKMT2A
SCHEMBL18120678 0.76 DHODH (1.00) DHODHNPSR1KDM4EMAPTKMT2A
SCHEMBL3836341 0.76 DHODH (0.61) DHODHNPSR1KDM4EMAPTKMT2A
SCHEMBL3894378 0.75 DHODH (0.63) DHODHNPSR1KDM4EMAPTKMT2A
SCHEMBL5046712 0.75 DHODH (1.00) DHODHNPSR1KDM4EMAPTKMT2A
SCHEMBL14341439 0.75 DHODH (0.67) DHODHNPSR1KDM4EMAPTKMT2A
SCHEMBL10862238 0.75 DHODH (0.67) DHODHNPSR1KDM4EMAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833830-B1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME BAYER SCHERING PHARMA AG (DE) 2009-10-14 EP disclosed
US-20060167035-A1 Quinoline derivative, its use, production and pharmaceutical agents containing the latter BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-07-27 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-20060167035-A1 Quinoline derivative, its use, production and pharmaceutical agents containing the latter NQO2, RECQL, XDH DHODH 1724/4885NPSR1 533/4885KDM4E 3139/4885

“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.