SCHEMBL4924142

SCHEMBL4924142

CC(C)(C)[C@]1(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HSD11B1 P28845 2/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HSP90AA1 P07900 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
F2 P00734 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL4924126 1.00 POLB (0.38) POLBHSD11B1ALDH1A1LMNAMAPT
SCHEMBL394197 0.74 ALDH1A1 (0.39) POLBHSD11B1ALDH1A1LMNAMAPT
SCHEMBL8695906 0.70 ALDH1A1 (0.41) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL143673 0.67 KMT2A (0.39) ALDH1A1KMT2AMEN1
SCHEMBL3981081 0.67 KMT2A (0.39) ALDH1A1KMT2AMEN1
SCHEMBL22370754 0.66 MGLL (0.47) POLBALDH1A1LMNAMAPTKMT2A
SCHEMBL6364182 0.64 ACHE (0.40) HSD11B1ALDH1A1LMNAMAPTHSP90AA1
SCHEMBL3129518 0.64 ACHE (0.40) HSD11B1ALDH1A1LMNAMAPTHSP90AA1
SCHEMBL3129529 0.64 ACHE (0.40) HSD11B1ALDH1A1LMNAMAPTHSP90AA1
SCHEMBL16538612 0.64 PSMD10 (0.39) POLBALDH1A1MAPTKMT2A

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-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2008-10-30 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-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ERBB2, ERBB4, EGFR POLB 1916/4885HSD11B1 4425/4885ALDH1A1 2461/4885

“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.