SCHEMBL19628844

SCHEMBL19628844

O=c1[nH]c2cccc(CS)c2c(=O)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.47
CFD P00746 1/20 0.47
OGT O15294 1/20 0.42
MAOA P21397 6/20 0.34
MAOB P27338 6/20 0.34
ELANE P08246 3/20 0.33
IL4I1 Q96RQ9 1/20 0.33
PDGFRA P16234 1/20 0.33
MAPK8 P45983 1/20 0.33
CDK5 Q00535 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
NOS1 P29475 3/20 0.31
NOS3 P29474 2/20 0.31

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
SCHEMBL10343102 0.86 F2 (0.50) F2CFDOGTMAOAMAOB
SCHEMBL4509421 0.85 F2 (0.49) F2CFDOGTMAOAMAOB
SCHEMBL5866577 0.81 ELANE (0.47) F2CFDOGTELANEDAO
SCHEMBL15823883 0.80 CYP1A2 (0.52) F2CFDOGTMAOAMAOB
SCHEMBL10771946 0.78 F2 (0.42) F2CFDOGTELANETSHR
SCHEMBL5265332 0.77 F2 (0.41) F2CFDOGTELANE
SCHEMBL18584304 0.76 MAOA (0.44) F2CFDOGTMAOAMAOB
SCHEMBL28766918 0.74 HCAR2 (0.43) F2CFDOGT
SCHEMBL3498795 0.74 F2 (0.52) F2CFDOGTMAOAMAOB
SCHEMBL3987671 0.74 F2 (0.52) F2CFDOGTMAOAPDGFRA

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
US-10350315-B2 Quinoline-3-carboxamide compounds and their use in diagnosis Westfaelische Wihelms-Universitaet Muenster (DE) 2019-07-16 US disclosed
US-20170333577-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS Westfälische Wilhelms-Universität Münster (DE) 2017-11-23 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 (2 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-10350315-B2 Quinoline-3-carboxamide compounds and their use in diagnosis S100A9, S100A4, S100A10 F2 3358/4885CFD 3662/4885OGT 2215/4885
US-20170333577-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS S100A9, S100A4, S100A10 F2 3358/4885CFD 3662/4885OGT 2215/4885

“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.