SCHEMBL5825136

SCHEMBL5825136

CCN(CC)C(=O)N=C=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
EHMT2 Q96KQ7 3/20 0.33
EHMT1 Q9H9B1 3/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
ABCB11 O95342 2/20 0.33
HTT P42858 2/20 0.33
GSDMD P57764 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CYP2E1 P05181 1/20 0.33
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALDH2 P05091 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL14617270 0.76 CA12 (0.31) CA12CA9CA2
SCHEMBL5824846 0.73
SCHEMBL2994249 0.72
SCHEMBL6399271 0.71 ALDH1A1 (0.45) LMNAMMP1MMP2MMP3MMP8
SCHEMBL2678230 0.71 ALDH1A1 (0.45) LMNAMMP1MMP2MMP3MMP8
SCHEMBL409740 0.69
SCHEMBL6701758 0.67
SCHEMBL3590685 0.67
SCHEMBL969220 0.67 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
SCHEMBL11734337 0.67 TSHR (0.31) ALDH1A1MAPTTSHRNFKB1THPO

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 LMNA 1836/4885MMP1 868/4885MMP2 1636/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA LMNA 2078/4885MMP1 995/4885MMP2 1402/4885

“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.