SCHEMBL12075313

SCHEMBL12075313

CNS(=O)(=O)c1ccc(F)c(N=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KIF11 P52732 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
TAS2R14 Q9NYV8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL29230354 0.81 LMNA (0.61) CA12CA1CA2CA3CA4
SCHEMBL14146435 0.80 PTGS2 (0.43) KIF11SMN1; SMN2
SCHEMBL425487 0.80 KMT2A (0.58) CA12CA1CA2CA3CA4
SCHEMBL12571826 0.77 ALDH1A1 (0.35) CA12CA1CA2CA4CA6
SCHEMBL14028113 0.77 CA2 (0.53) CA12CA1CA2CA3CA4
SCHEMBL10153819 0.77 TSHR (0.61) CA12CA1CA2CA3CA4
SCHEMBL1804387 0.75 CA1 (0.50) CA12CA1CA2CA3CA4
SCHEMBL20779633 0.75 CA1 (0.50) CA12CA1CA2CA3CA4
SCHEMBL29167246 0.75 CA12 (0.60) CA12CA1CA2CA3CA4
SCHEMBL12074917 0.74 LMNA (0.36) LMNAL3MBTL1KIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 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-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR CA12 4698/4885CA1 4451/4885CA2 3926/4885

“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.