SCHEMBL4374371

SCHEMBL4374371

COc1ccc2[nH]c(C(=O)O)cc2c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.55
▸ HPGD P15428 1/20 0.55
▸ FBP1 P09467 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ BLM P54132 1/20 0.48
▸ PKM P14618 3/20 0.46
▸ POLB P06746 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ APEX1 P27695 1/20 0.42
▸ NQO2 P16083 1/20 0.41
▸ MTNR1A P48039 1/20 0.41

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
SCHEMBL2010966 0.85 CYP3A4 (0.45) KDM4EHPGDFBP1TDP1MAPT
SCHEMBL2010090 0.83 FBP1 (0.43) KDM4EHPGDFBP1TDP1MAPT
SCHEMBL6161781 0.80 GRIN1 (0.49) KDM4EHPGDBLMPKMPOLB
SCHEMBL6240318 0.80 KDM4E (0.60) KDM4EHPGDTDP1MAPTBLM
SCHEMBL9314516 0.80 KDM4E (0.60) KDM4EHPGDMAPTPKMPOLB
SCHEMBL1144884 0.80 KDM4E (0.60) KDM4EHPGDMAPTPOLBL3MBTL1
SCHEMBL30403281 0.80 KDM4E (0.60) KDM4EHPGDTDP1MAPTBLM
SCHEMBL23144274 0.78 MAPT (0.51) KDM4ETDP1MAPTBLMPKM
SCHEMBL29812109 0.78 MAPT (0.51) KDM4ETDP1MAPTBLMPKM
SCHEMBL3110626 0.78 KDM4E (0.59) KDM4EHPGDBLMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 — — US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 — — US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 — — EP disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 — — US disclosed
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 — — US disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 — — EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 — — EP disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 — — EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 — — 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR KDM4E 2055/4885HPGD 348/4885FBP1 2268/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 KDM4E 1506/4885HPGD 1830/4885FBP1 3732/4885

“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.

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