Sugi Predict

Sugi Predict / Compounds / SCHEMBL2532268

SCHEMBL2532268

SCHEMBL2532268

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA5 P08648 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TXNRD1 Q16881 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
SCHEMBL29434843 0.90 L3MBTL1 (0.40) ALDH1A1GAAPKMKMT2AMEN1
SCHEMBL2530387 0.90 L3MBTL1 (0.40) ALDH1A1GAAPKMKMT2AMEN1
SCHEMBL2533200 0.88 ALDH1A1 (0.48) ALDH1A1GAAPKMMAPTSMN1; SMN2
SCHEMBL2532560 0.86 ALDH1A1 (0.35) ALDH1A1GAATHRBKMT2AITGB1
SCHEMBL4438662 0.85 ATM (0.37) ALDH1A1GAATHRBKMT2AMEN1
SCHEMBL4438665 0.85 ATM (0.37) ALDH1A1GAATHRBKMT2AMEN1
SCHEMBL3393064 0.82 L3MBTL1 (0.43) ALDH1A1GAAKMT2AMEN1TDP1
SCHEMBL21806057 0.79 HPGD (0.34) ALDH1A1KMT2AMEN1ITGB1ITGA5
SCHEMBL30365148 0.79 HPGD (0.34) ALDH1A1KMT2AMEN1ITGB1ITGA5
SCHEMBL2530388 0.78 L3MBTL1 (0.40) ALDH1A1GAAPKMKMT2ATDP1

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 ALDH1A1 609/4885GAA 818/4885PKM 318/4885
US-20080221322-A1 CHEMICAL PROCESS CYP3A5, CYP3A4, CYP3A7 ALDH1A1 609/4885GAA 818/4885PKM 318/4885

“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.