SCHEMBL4871525

SCHEMBL4871525

COc1ccnc(CC(C)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
NOS2 P35228 2/20 0.50
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
LDHA P00338 1/20 0.41
LMNA P02545 2/20 0.41
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
CYP1A2 P05177 2/20 0.41
CDC42 P60953 1/20 0.41
RAC1 P63000 1/20 0.41
TSHR P16473 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
LNPEP Q9UIQ6 2/20 0.41
RIOK2 Q9BVS4 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8009944 0.84 NOS3 (0.49) NOS3NOS1NOS2CCR1CCR5
SCHEMBL15469689 0.80 NOS2 (0.59) NOS3NOS1NOS2CCR1CCR5
SCHEMBL15496065 0.78 RECQL (0.43) CYP1A2TSHRLNPEPKDM4E
SCHEMBL15743142 0.78 NOS3 (0.56) NOS3NOS1NOS2CCR1CCR5
SCHEMBL2830882 0.75 NOS1 (0.53) NOS3NOS1NOS2CCR1CCR5
SCHEMBL7230462 0.74 NOS1 (0.56) NOS3NOS1NOS2CCR1CCR5
SCHEMBL17801972 0.74 NOS3 (0.51) NOS3NOS1NOS2CYP1A2NPSR1
SCHEMBL7674585 0.73 NOS2 (0.62) NOS3NOS1NOS2CCR1CCR5
SCHEMBL29694712 0.73 NOS2 (0.62) NOS3NOS1NOS2CCR1CCR5
SCHEMBL245100 0.73 NOS2 (0.62) NOS3NOS1NOS2CCR1CCR5

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
CN-100415745-C Imidazopyridine derivatives as inducible NO synthase inhibitors ALTANA PHARMA AG (DE) 2008-09-03 CN disclosed
US-7390819-B2 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-06-24 US disclosed
CN-1856491-A Imidazopyridine derivatives as inducible NO synthase inhibitors ALTANA PHARMA AG (DE) 2006-11-01 CN disclosed
US-20060160839-A1 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-07-20 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-20060160839-A1 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885

“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.