SCHEMBL3025182

SCHEMBL3025182

CCOC(=O)c1cc2ccc(N)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 5/20 0.45
NOD1 Q9Y239 5/20 0.45
ADORA3 P0DMS8 2/20 0.43
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
NR1H2 P55055 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
F10 P00742 2/20 0.38
NR1H3 Q13133 1/20 0.38
AURKA O14965 1/20 0.36
CDK2 P24941 1/20 0.36
CACNA1B Q00975 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
SCHEMBL3023843 0.91 NOD2 (0.45) NOD2NOD1ADORA3LMNACYP1A2
SCHEMBL5623839 0.88 NOD2 (0.52) NOD2NOD1ADORA3NR1H2MEN1
SCHEMBL13173591 0.87 NOD2 (0.46) NOD2NOD1LMNACYP1A2MAOA
SCHEMBL3033212 0.86 NR1H2 (0.41) NR1H2NR1H3AURKACDK2
SCHEMBL5065658 0.86 NOD2 (0.47) NOD2NOD1NR1H2MEN1KMT2A
SCHEMBL31095788 0.86 NOD2 (0.45) NOD2NOD1LMNANR1H2MEN1
SCHEMBL24894603 0.84 NOD2 (0.62) NOD2NOD1NR1H2MEN1KMT2A
SCHEMBL29827958 0.84 NOD2 (0.62) NOD2NOD1NR1H2MEN1KMT2A
SCHEMBL3060429 0.83 SCN9A (0.40) NOD2NOD1ADORA3CYP1A2NR1H2
SCHEMBL3033204 0.82 NOD2 (0.51) NOD2NOD1LMNAMEN1KMT2A

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 NOD2 4324/4885NOD1 3097/4885ADORA3 1357/4885

“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.