SCHEMBL4047130

SCHEMBL4047130

CCOC(=O)c1cnc2ccc3sccc3c2c1Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAPT P10636 5/20 0.51
TP53 P04637 2/20 0.51
PAX8 Q06710 1/20 0.50
CREBBP Q92793 1/20 0.50
AURKA O14965 3/20 0.49
AURKB Q96GD4 3/20 0.49
PKM P14618 1/20 0.49
GAA P10253 2/20 0.48

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
SCHEMBL4050780 0.86 MAPT (0.61) SMN1; SMN2KDM4EALDH1A1MAPTTP53
SCHEMBL4057352 0.80 KMT2A (0.46) SMN1; SMN2KDM4EALDH1A1MAPTPKM
SCHEMBL11244977 0.78 ALDH1A1 (0.78) PDE4BSMN1; SMN2KDM4EALDH1A1RXFP1
Hydrochloric Acid SCHEMBL11254237 0.77 ALDH1A1 (0.80) PDE4BSMN1; SMN2KDM4EALDH1A1RXFP1
SCHEMBL23575213 0.75 MAPT (0.81) SMN1; SMN2KDM4EALDH1A1RXFP1MAPT
SCHEMBL18998183 0.75 AURKB (0.75) SMN1; SMN2KDM4EALDH1A1RXFP1MAPT
SCHEMBL30864147 0.75 AURKB (0.75) SMN1; SMN2KDM4EALDH1A1RXFP1MAPT
SCHEMBL3791913 0.75 PAX8 (0.69) SMN1; SMN2KDM4EALDH1A1RXFP1MAPT
SCHEMBL5325640 0.74 PAX8 (0.85) SMN1; SMN2KDM4EALDH1A1RXFP1MAPT
SCHEMBL11246546 0.74 TP53 (0.79) SMN1; SMN2KDM4EALDH1A1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035434-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE, AND MEDICAMENTS COMPRISING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP claimed
US-20080056987-A1 Quinoline derivatives, their preparation, their use, and medicaments comprising them BAYER SCHERING PHARMA AG (DE) 2008-03-06 US claimed
WO-2007147578-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE, AND MEDICAMENTS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed
EP-2035434-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE, AND MEDICAMENTS COMPRISING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed
US-20080056987-A1 Quinoline derivatives, their preparation, their use, and medicaments comprising them BAYER SCHERING PHARMA AG (DE) 2008-03-06 US disclosed
WO-2007147578-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE, AND MEDICAMENTS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO 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-20080056987-A1 Quinoline derivatives, their preparation, their use, and medicaments comprising them RECQL, NQO2, XDH PDE4B 994/4885SMN1; SMN2 3127/4885KDM4E 3441/4885

“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.