SCHEMBL6080394

SCHEMBL6080394

CC=Cc1cc(OC)c2nc(C(=O)O)c(C)c(O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TYR P14679 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
GPR35 Q9HC97 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 3/20 0.38

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
SCHEMBL6080872 0.88 GPR35 (0.41) PIM1PKMPTGS1PTGS2GAA
SCHEMBL6080302 0.82 GPR35 (0.44) PIM1PKMPTGS2MAPK1CYP3A4
SCHEMBL6081157 0.80 GPR35 (0.43) PIM1PKMPTGS2MAPTMEN1
SCHEMBL6080307 0.80 GPR35 (0.43) PIM1PKMPTGS2MAPTMEN1
SCHEMBL6080176 0.80 GPR35 (0.43) PIM1PKMPTGS2MAPTGPR35
SCHEMBL6591557 0.78 GPR35 (0.47) PIM1PKMPTGS1PTGS2GAA
SCHEMBL6591560 0.78 GPR35 (0.47) PIM1PKMPTGS1PTGS2GAA
SCHEMBL6081306 0.77 PDE10A (0.45) GPR35KDM4EALDH1A1HPGD
SCHEMBL6080655 0.76 ALOX5 (0.50) GAAMAPTGPR35KDM4EALOX5
SCHEMBL6081017 0.76 GPR35 (0.39) PKMGPR35POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL PIM1 3960/4885PKM 1250/4885PTGS1 1181/4885

“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.