SCHEMBL5824475

SCHEMBL5824475

Cc1ccccc1CC(=O)N=C=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.50
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
SHBG P04278 1/20 0.41
NPC1 O15118 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
MAPK8 P45983 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
MAOB P27338 1/20 0.36
PTGS2 P35354 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5824440 0.83 TAAR1 (0.42) CTBP2KMT2AMEN1MAPTHPGD
SCHEMBL15241368 0.81 AKR1B1 (0.55) KEAP1
SCHEMBL3573836 0.79 ALDH1A1 (0.42) KMT2AMEN1NPC1ALDH1A1CASP3
SCHEMBL5824570 0.79 CTBP2 (0.50) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL3562956 0.79 LMNA (0.50) KMT2AMEN1MAPTGAA
SCHEMBL13016716 0.78 CTBP2 (0.56) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL5824712 0.77 TDP1 (0.57) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL3620817 0.77 GABRA1 (0.35) CTBP2KEAP1NFE2L2GABRA1GABRB2
Toluene SCHEMBL29217701 0.75 L3MBTL1 (0.45) CTBP2KMT2AHPGDALDH1A1GAA
SCHEMBL13343475 0.75 NPSR1 (0.31)

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 CTBP2 4747/4885KMT2A 2022/4885MEN1 3835/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA CTBP2 4735/4885KMT2A 2006/4885MEN1 4168/4885

“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.