SCHEMBL3836341

SCHEMBL3836341

CCOC(=O)C(=CNc1ccc2sc(C)nc2c1)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.61
NPSR1 Q6W5P4 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 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
SCHEMBL3839885 0.78 DHODH (0.61) DHODHNPSR1L3MBTL1HPGDKDM4E
SCHEMBL11483003 0.78 DHODH (0.62) DHODHNPSR1L3MBTL1HPGDKDM4E
SCHEMBL20874402 0.77 DHODH (0.55) DHODHNPSR1HPGDRAB9ANPC1
SCHEMBL20874403 0.77 DHODH (0.55) DHODHNPSR1HPGDRAB9ANPC1
SCHEMBL10863692 0.77 DHODH (0.90) DHODHNPSR1L3MBTL1HPGDKDM4E
SCHEMBL18120678 0.76 DHODH (1.00) DHODHNPSR1L3MBTL1KDM4EMAPT
SCHEMBL11350244 0.76 SMN1; SMN2 (0.60) DHODHNPSR1HPGDRAB9ANPC1
SCHEMBL3839828 0.76 DHODH (0.61) DHODHNPSR1L3MBTL1HPGDKDM4E
SCHEMBL10861496 0.75 DHODH (0.70) DHODHNPSR1L3MBTL1HPGDKDM4E
SCHEMBL24862884 0.75 KMT2A (0.57) NPSR1HPGDRAB9ANPC1CASP3

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 533/4885L3MBTL1 3397/4885

“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.