SCHEMBL2530388

SCHEMBL2530388

CCOC(=O)C(C(C)=O)c1c([N+](=O)[O-])ccc(O)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 7/20 0.37
MAPT P10636 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HPGD P15428 3/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 3/20 0.36
GALR2 O43603 1/20 0.36
MITF O75030 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL2533200 0.90 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2GAAHPGD
SCHEMBL2530387 0.89 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL29434843 0.89 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL2537785 0.84 ITGA4 (0.36) L3MBTL1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL3393064 0.82 L3MBTL1 (0.43) L3MBTL1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL2532268 0.78 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2TDP1GAA
SCHEMBL14334111 0.77 PDK1 (0.43) L3MBTL1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL3385442 0.75 ALDH1A1 (0.48) L3MBTL1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL8148188 0.73 HPD (0.47) L3MBTL1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL21806057 0.73 HPGD (0.34) L3MBTL1ALDH1A1MAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754240-B2 Process for the manufacture of 4-fluoro-2-methyl-1H-indol-5-ol ASTRAZENECA AB (SE) 2014-06-17 US disclosed
EP-2540706-A2 PROCESS FOR PREPARING INDOL-5-OXY-QUINAZOLINE DERIVATIVES AND INTERMEDIATES AstraZeneca AB (Publ) (SE) 2013-01-02 EP disclosed
EP-2540705-A2 Process for preparing indol-5-oxy-quinazoline derivatives and intermediates AstraZeneca AB (Publ) (SE) 2013-01-02 EP disclosed
US-20110257395-A1 Chemical Process ASTRAZENECA AB (SE) 2011-10-20 US disclosed
US-7851623-B2 Chemical process ASTRAZENECA AB (SE) 2010-12-14 US disclosed
EP-2129657-A2 PROCESS FOR PREPARING INDOL-5-OXY-QUINAZOLINE DERIVATIVES AND INTERMEDIATES AstraZeneca AB (SE) 2009-12-09 EP disclosed
US-20080221322-A1 CHEMICAL PROCESS ASTRAZENECA AB (SE) 2008-09-11 US disclosed
WO-2008053221-A2 PROCESS FOR PREPARING INDOL- 5 -OXY- QUINAZOLINE DERIVATIVES AND INTERMEDIATES ASTRAZENECA AB (SE) 2008-05-08 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 (2 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-20110257395-A1 Chemical Process CYP3A5, CYP3A4, CYP3A7 L3MBTL1 4673/4885ALDH1A1 609/4885MAPT 2718/4885
US-20080221322-A1 CHEMICAL PROCESS CYP3A5, CYP3A4, CYP3A7 L3MBTL1 4673/4885ALDH1A1 609/4885MAPT 2718/4885

“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.