SCHEMBL6448421

SCHEMBL6448421

CCOC(=O)c1cc2cc(OC)cc([N+](=O)[O-])c2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 5/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 3/20 0.43
USP10 Q14694 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAOB P27338 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 3/20 0.41
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.40

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
SCHEMBL6443898 0.84 MAPT (0.54) MAPTALDH1A1GAAMAPK1LMNA
SCHEMBL1982581 0.84 GPR35 (0.53) MAPTALDH1A1GAAMAPK1LMNA
SCHEMBL29852905 0.84 GPR35 (0.53) MAPTALDH1A1GAAMAPK1LMNA
SCHEMBL6977065 0.84 MAOB (0.47) MAPTALDH1A1GAALMNAUSP10
SCHEMBL15200323 0.83 HPGD (0.51) ALDH1A1GAALMNAKDM4EMAOB
SCHEMBL21230504 0.82 MAOB (0.50) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL6635123 0.81 MAOA (0.48) MAPTALDH1A1GAAMAPK1LMNA
SCHEMBL6985505 0.79 MAPT (0.73) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL1608781 0.77 MAPT (0.50) MAPTALDH1A1GAALMNARAB9A
SCHEMBL6979379 0.77 MAPT (0.55) MAPTGAASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895559-B2 Quinoxalines derivatives and pharmaceutical compositions and kits MERCK PATENT GMBH (DE) 2014-11-25 US disclosed
US-20130217670-A1 QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US disclosed
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2004-03-11 US disclosed
EP-1326859-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO disclosed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 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-20130217670-A1 QUINOXALINE DERIVATIVES PIK3R5, NQO2, PIK3R1 MAPT 4120/4885ALDH1A1 2771/4885GAA 2447/4885
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity TOP1, NQO2, ABCC1 MAPT 4253/4885ALDH1A1 1004/4885GAA 1176/4885

“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.