SCHEMBL3948178

SCHEMBL3948178

Nc1cccc2c1CC(NC(=O)O)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGL P06737 7/20 0.42
PYGM P11217 5/20 0.42
CRBN Q96SW2 7/20 0.40
DDB1 Q16531 3/20 0.36
RIPK1 Q13546 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
IKZF3 Q9UKT9 1/20 0.34
BRD4 O60885 1/20 0.34
TRPV1 Q8NER1 2/20 0.33

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
SCHEMBL5314932 0.84 PYGL (0.43) PYGLPYGMCRBNDDB1RIPK1
SCHEMBL25330404 0.83 PYGL (0.42) PYGLPYGMCRBNDDB1RIPK1
SCHEMBL27766819 0.82 EPHX2 (0.46) PYGLPYGMCRBNBRD4
SCHEMBL2840737 0.78 PYGL (0.42) PYGLPYGMCRBNDDB1KDM4E
SCHEMBL29900499 0.77 PYGL (0.64) PYGLPYGMRIPK1BRD4
SCHEMBL15541576 0.77 PYGL (0.64) PYGLPYGMRIPK1BRD4
SCHEMBL25329367 0.77 PYGL (0.64) PYGLPYGMRIPK1BRD4
SCHEMBL1450613 0.76 PARP1 (0.36) CRBNDDB1KDM4EALDH1A1IKZF3
SCHEMBL5311229 0.75 RIPK1 (0.45) PYGLPYGMCRBNDDB1RIPK1
SCHEMBL4390484 0.74 PYGL (0.46) PYGLPYGMCRBNDDB1

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-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 PYGL 3956/4885PYGM 4649/4885CRBN 780/4885

“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.