SCHEMBL3274429

SCHEMBL3274429

CCOC(=O)Oc1cc([N+](=O)[O-])c(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CUL4A Q13619 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR174 Q9BXC1 2/20 0.38

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
SCHEMBL18306134 0.90 CUL4A (0.45) KMT2AMAPTALDH1A1SMN1; SMN2CUL4A
SCHEMBL810412 0.88 ALDH1A1 (0.43) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL24453320 0.84 POLB (0.45) KMT2AMAPTALDH1A1SMN1; SMN2CUL4A
SCHEMBL16217686 0.82 KMT2A (0.39) KMT2AMAPTALDH1A1SMN1; SMN2CUL4A
SCHEMBL8367665 0.81 ALDH1A1 (0.43) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL28614706 0.79 MAPT (0.41) KMT2AMAPTALDH1A1LMNAMEN1
SCHEMBL31047098 0.79 CUL4A (0.45) KMT2AMAPTALDH1A1SMN1; SMN2CUL4A
SCHEMBL4306866 0.79 ALDH1A1 (0.47) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL3106685 0.79 CUL4A (0.45) KMT2AMAPTALDH1A1SMN1; SMN2CUL4A
SCHEMBL810673 0.79 CUL4A (0.45) KMT2AMAPTALDH1A1SMN1; SMN2CUL4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024249642-A1 EGFR INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2024-12-05 WO disclosed
US-20240025874-A1 Quinazoline Derivative Salt Crystal Form, Preparation Method and Application Wayshire Biopharm Holding Limited (US) 2024-01-25 US disclosed
US-20240025874-A1 Quinazoline Derivative Salt Crystal Form, Preparation Method and Application Wayshire Biopharm Holding Limited (US) 2024-01-25 US disclosed
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
EP-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
US-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli SMITHKLINE BEECHAM CORPORATION 2007-12-13 US disclosed
EP-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP disclosed
EP-1539133-B1 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2006-08-23 EP disclosed
US-20060040925-A1 Aminocyclohexene quinolines and their azaisosteric analogues with antibacterial activity GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed
EP-1549156-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT Investigacion Y Nutricion, S.L. (ES) 2005-07-06 EP disclosed
WO-2004014361-A9 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2004-04-08 WO disclosed
WO-2004014150-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT INVESTIGACION Y NUTRICION, S.L. (ES) 2004-02-19 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 (3 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-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli NPM1, TOP1, HMGB1 KMT2A 1059/4885MAPT 4083/4885ALDH1A1 3450/4885
US-20240025874-A1 Quinazoline Derivative Salt Crystal Form, Preparation Method and Application H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SDHA, FH KMT2A 1485/4885MAPT 825/4885ALDH1A1 909/4885
US-20060040925-A1 Aminocyclohexene quinolines and their azaisosteric analogues with antibacterial activity QARS1, NQO2, AAAS KMT2A 2688/4885MAPT 4662/4885ALDH1A1 3233/4885

“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.