SCHEMBL5102002

SCHEMBL5102002

COc1cc(C(=O)O)nc2ccncc12

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.66
ALDH1A1 P00352 2/20 0.56
GPR35 Q9HC97 1/20 0.54
MAOA P21397 2/20 0.45
CCNC P24863 2/20 0.45
CDK8 P49336 2/20 0.45
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
CSNK2A1 P68400 1/20 0.42
ECE1 P42892 3/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IGFBP5 P24593 1/20 0.40
DHODH Q02127 1/20 0.40
IGFBP3 P17936 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
SCHEMBL5101954 0.80 ALDH1A1 (0.46) ALOX15ALDH1A1GPR35KDM4ECSNK2A2
SCHEMBL297225 0.80 ALOX15 (1.00) ALOX15ALDH1A1GPR35KDM4ELMNA
SCHEMBL18320554 0.78 KDM4E (0.44) ALOX15ALDH1A1KDM4EL3MBTL1CSNK2A2
SCHEMBL5101784 0.76 GPR35 (0.49) ALOX15GPR35KDM4ECSNK2A2CSNK2B
SCHEMBL5090085 0.76 CSNK2A2 (0.40) ALOX15ALDH1A1KDM4ECSNK2A2CSNK2B
SCHEMBL24985999 0.76 MAOA (0.53) ALOX15ALDH1A1MAOAKDM4EL3MBTL1
SCHEMBL23717025 0.74 MAOA (0.46) ALOX15ALDH1A1MAOACCNCCDK8
SCHEMBL31254288 0.73 ALOX15 (0.39) ALOX15ALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL5101931 0.73 MAOA (0.42) ALOX15ALDH1A1MAOAKDM4EL3MBTL1
SCHEMBL30421051 0.72 ALOX15 (0.64) ALOX15ALDH1A1GPR35KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207677-A1 Napthyridine Compounds As Rock Inhibitors GPC BIOTECH AG (DE) 2008-08-28 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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors ROCK2, ROCK1, RHOT2 ALOX15 2632/4885ALDH1A1 4506/4885GPR35 419/4885

“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.