SCHEMBL4491664

SCHEMBL4491664

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
CDK2 P24941 2/20 0.36
CTSB P07858 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CA12 O43570 1/20 0.35
CYP1A2 P05177 1/20 0.35
SRC P12931 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL608552 0.79 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2MEN1MAPT
SCHEMBL19180314 0.77 TXNRD1 (0.42) TXNRD1TXNRD3TXNRD2MAPTKMT2A
SCHEMBL5723712 0.75 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2MEN1MAPT
SCHEMBL29661290 0.75 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2MEN1MAPT
SCHEMBL28958003 0.75 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2MEN1MAPT
SCHEMBL24327364 0.75 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2MEN1MAPT
SCHEMBL3540216 0.75 TXNRD1 (0.49) TXNRD1TXNRD3TXNRD2MEN1MAPT
SCHEMBL4496980 0.74 CTSB (0.50) TXNRD1TXNRD3TXNRD2MEN1MAPT
SCHEMBL5234315 0.73 TXNRD1 (0.64) TXNRD1TXNRD3TXNRD2MEN1MAPT
SCHEMBL4495775 0.72 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2MEN1MAPT

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 6 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-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO 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 TXNRD1 1155/4885TXNRD3 2622/4885TXNRD2 1966/4885

“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.