SCHEMBL6364182

SCHEMBL6364182

CC(C)(C)C1[C@@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSD11B1 P28845 2/20 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
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3129529 1.00 ACHE (0.40) ACHEHTTRECQLSMN1; SMN2KDM4E
SCHEMBL3129518 1.00 ACHE (0.40) ACHEHTTRECQLSMN1; SMN2KDM4E
SCHEMBL19150678 0.86 CYP2D6 (0.50) ACHEALDH1A1CYP1A2CYP2D6CYP3A4
SCHEMBL18173559 0.80 CYP2D6 (0.48) ACHESMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL18173560 0.80 CYP2D6 (0.48) ACHESMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL17823736 0.78 CYP2D6 (0.46) ACHESMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL344781 0.76 HSD17B10 (0.30)
SCHEMBL1786234 0.76 HSD17B10 (0.30)
SCHEMBL18393475 0.76 HSD17B10 (0.30)
SCHEMBL344780 0.76 HSD17B10 (0.30)

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 ACHE 4045/4885HTT 3207/4885RECQL 358/4885

“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.