SCHEMBL3840520

SCHEMBL3840520

O=C(O)c1c[nH]c2ccc3sccc3c2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
HSD17B10 Q99714 2/20 0.57
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
CSNK2A1 P68400 4/20 0.40
PIM3 Q86V86 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
MDH2 P40926 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CSNK2A2 P19784 3/20 0.38

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
SCHEMBL4050952 0.81 GABRA1 (0.55) CYP1A2HSD17B10KDM4EHPGDALDH1A1
SCHEMBL3840526 0.80 HSD17B10 (0.38) CYP1A2HSD17B10KDM4EHTTHPGD
SCHEMBL5246798 0.78 MAPT (0.33) CYP1A2HSD17B10KDM4EHTTALDH1A1
SCHEMBL3840990 0.77 CYP1A2 (0.54) CYP1A2HSD17B10KDM4EHTTF7
SCHEMBL2913341 0.72 CSNK2A1 (0.47) CYP1A2HSD17B10KDM4EHTTHPGD
SCHEMBL2793777 0.72 CYP3A4 (0.50) CYP1A2HSD17B10KDM4EHTTF7
SCHEMBL3836795 0.70 CYP1A2 (0.49) CYP1A2HSD17B10KDM4EHTTF7
SCHEMBL3842031 0.69 CYP1A2 (0.36) CYP1A2HSD17B10ALDH1A1KMT2ACYP2C19
SCHEMBL397484 0.68 CYP1A2 (0.56) CYP1A2HSD17B10KDM4EHPGDALDH1A1
SCHEMBL10478117 0.68 CYP1A2 (0.56) CYP1A2HSD17B10KDM4EHTTF7

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 3 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
CN-101087788-A Quinoline derivative, its use, production and pharmaceutical agents containing the latter BAYER SCHERING PHARMA AG (DE) 2007-12-12 CN 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 CYP1A2 8/4885HSD17B10 2404/4885KDM4E 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.