SCHEMBL2533200

SCHEMBL2533200

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
CASP6 P55212 1/20 0.37
CTSB P07858 2/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
BACE1 P56817 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TPMT P51580 1/20 0.33
CTSH P09668 1/20 0.33

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
SCHEMBL2530388 0.90 L3MBTL1 (0.40) ALDH1A1TP53CYP3A4HPGDTSHR
SCHEMBL2532268 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTLMNAPKM
SCHEMBL2537785 0.86 ITGA4 (0.36) ALDH1A1TP53CYP3A4HPGDTSHR
SCHEMBL2530387 0.78 L3MBTL1 (0.40) ALDH1A1HPGDSMN1; SMN2MAPTPOLB
SCHEMBL29434843 0.78 L3MBTL1 (0.40) ALDH1A1HPGDSMN1; SMN2MAPTPOLB
SCHEMBL2532560 0.74 ALDH1A1 (0.35) ALDH1A1CYP3A4TSHRSMN1; SMN2HIF1A
SCHEMBL3131907 0.72 ALDH1A1 (0.60) ALDH1A1TSHRSMN1; SMN2MAPTPOLB
SCHEMBL4438662 0.72 ATM (0.37) ALDH1A1TSHRSMN1; SMN2HIF1AMAPT
SCHEMBL4438665 0.72 ATM (0.37) ALDH1A1TSHRSMN1; SMN2HIF1AMAPT
SCHEMBL3536336 0.72 ALDH1A1 (0.69) ALDH1A1TSHRSMN1; SMN2MAPTPOLB

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 12 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
CN-101528688-B Process for preparing indole-5-oxoquinazoline derivatives and intermediates ASTRAZENECA AB 2012-09-05 CN disclosed
CN-102584798-A Process for preparing indol- 5 -oxy- quinazoline derivatives and intermediates ASTRAZENECA AB 2012-07-18 CN disclosed
CN-102532108-A Process for preparing indol-5-oxy-quinazoline derivatives and intermediates ASTRAZENECA AB 2012-07-04 CN 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
CN-101528688-A Process for preparing indole-5-oxoquinazoline derivatives and intermediates ASTRAZENECA AB (SE) 2009-09-09 CN 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 ALDH1A1 609/4885TP53 3014/4885CYP3A4 2/4885
US-20080221322-A1 CHEMICAL PROCESS CYP3A5, CYP3A4, CYP3A7 ALDH1A1 609/4885TP53 3014/4885CYP3A4 2/4885

“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.