SCHEMBL6364180

SCHEMBL6364180

CC(C)(C)OC(=O)N1CC[C@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
GPR119 Q8TDV5 14/20 0.47
STS P08842 2/20 0.43
KDM4E B2RXH2 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL3129522 1.00 ALDH1A1 (0.54) ALDH1A1LMNAMAPTGPR119STS
SCHEMBL3127065 0.94 ALDH1A1 (0.52) ALDH1A1LMNAMAPTGPR119STS
SCHEMBL26091331 0.93 ALDH1A1 (0.59) ALDH1A1LMNAMAPTGPR119STS
SCHEMBL27844213 0.89 ALDH1A1 (0.55) ALDH1A1LMNAMAPTGPR119STS
SCHEMBL2683671 0.89 ALOX5 (0.48) ALDH1A1LMNAMAPTGPR119STS
SCHEMBL2683675 0.89 ALOX5 (0.48) ALDH1A1LMNAMAPTGPR119STS
SCHEMBL23250075 0.88 GPR119 (0.54) ALDH1A1LMNAMAPTGPR119STS
SCHEMBL221064 0.86 CYP2D6 (0.54) GPR119STS
SCHEMBL222877 0.86 CYP2D6 (0.54) GPR119STS
SCHEMBL221063 0.86 CYP2D6 (0.54) GPR119STS

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-20050215574-A1 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (SE) 2005-09-29 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-20050215574-A1 4-anilino quinazoline derivatives as antiproliferative agents ERBB2, ERBB4, EGFR ALDH1A1 2461/4885LMNA 2256/4885MAPT 4279/4885

“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.