SCHEMBL4496980

SCHEMBL4496980

O=[N+]([O-])c1ccc(CN2CCOCC2)c2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
KCNJ1 P48048 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 2/20 0.46
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42

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
SCHEMBL9008678 0.77 ACHE (0.65) CTSBSMN1; SMN2MAPTKCNJ1ALDH1A1
SCHEMBL249415 0.75 CYP2A13 (0.54) CTSBSMN1; SMN2MAPTKCNJ1ALDH1A1
SCHEMBL19175109 0.75 SMN1; SMN2 (0.54) CTSBSMN1; SMN2MAPTKCNJ1ALDH1A1
SCHEMBL1613713 0.75 CTSB (0.53) CTSBSMN1; SMN2MAPTKCNJ1ALDH1A1
SCHEMBL922541 0.75 CTSB (0.53) CTSBSMN1; SMN2MAPTKCNJ1ALDH1A1
SCHEMBL1980423 0.75 MEN1 (0.75) CTSBSMN1; SMN2MAPTKCNJ1ALDH1A1
SCHEMBL4485050 0.75 CYP2C9 (0.53) CTSBMAPTALDH1A1LMNACYP2C9
SCHEMBL248962 0.75 CTSB (0.50) CTSBSMN1; SMN2MAPTKCNJ1ALDH1A1
SCHEMBL4491664 0.74 TXNRD1 (0.50) CTSBSMN1; SMN2MAPTALDH1A1POLB
SCHEMBL30061320 0.72 ALDH1A1 (0.64) CTSBSMN1; SMN2MAPTKCNJ1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO 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-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 CTSB 765/4885SMN1; SMN2 3664/4885MAPT 2233/4885

“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.