SCHEMBL5824896

SCHEMBL5824896

O=C(N=C=S)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA9 Q16790 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
CA2 P00918 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
FAAH O00519 1/20 0.39
PHGDH O43175 1/20 0.39
ALDH2 P05091 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL5825621 0.80 ALDH1A1 (0.39) CA12CA1CA9SMN1; SMN2TP53
SCHEMBL5800570 0.77 SMN1; SMN2 (0.54) CA12CA1CA9SMN1; SMN2MEN1
SCHEMBL734045 0.75 SMN1; SMN2 (0.52) CA12CA1CA9SMN1; SMN2MEN1
SCHEMBL734044 0.75 SMN1; SMN2 (0.52) CA12CA1CA9SMN1; SMN2MEN1
SCHEMBL23962341 0.73 SMN1; SMN2 (0.50) CA12CA1CA9SMN1; SMN2MEN1
SCHEMBL967471 0.71 SMN1; SMN2 (0.54) CA12CA1CA9SMN1; SMN2MEN1
SCHEMBL8272449 0.71 KDM4E (0.50) SMN1; SMN2ALDH1A1HTTTSHRKDM4E
SCHEMBL5932947 0.67
SCHEMBL8391822 0.67 SMN1; SMN2 (0.48) CA12CA1CA9SMN1; SMN2MEN1
SCHEMBL24059132 0.67 MMP1 (0.45) CA12CA1CA9SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA CA12 4885/4885CA1 4881/4885CA9 4819/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA CA12 4885/4885CA1 4879/4885CA9 4837/4885

“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.