SCHEMBL3279766

SCHEMBL3279766

CCOC(=O)Nc1ccc(Br)cc1F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
FPR2 P25090 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNQ4 P56696 1/20 0.49
KCNQ5 Q9NR82 1/20 0.49

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
SCHEMBL7407182 0.86 SMN1; SMN2 (0.53) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL12407109 0.86 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL15682730 0.85 GPR35 (0.61) SMN1; SMN2MAPTPOLBRAB9ANPC1
SCHEMBL9175285 0.84 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL6004344 0.84 SMN1; SMN2 (0.73) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL10629048 0.84 MAPT (0.53) SMN1; SMN2MAPTPOLBRAB9ANPC1
SCHEMBL28618912 0.84 ALDH1A1 (0.59) SMN1; SMN2MAPTPOLBRAB9ANPC1
SCHEMBL2765494 0.83 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A
SCHEMBL1776718 0.82 MAPT (0.48) SMN1; SMN2MAPTPOLBRAB9ANPC1
SCHEMBL7555717 0.82 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT

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
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
CN-1832922-A Sulfonyl-substituted N- (biarylmethyl) aminocyclopropanecarboxamides MERCK & CO INC (US) 2006-09-13 CN disclosed
US-20060167087-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP disclosed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 WO disclosed
US-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US disclosed
US-5935907-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1999-08-10 US disclosed
EP-0869123-A2 Phenylacetylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-10-07 EP disclosed
US-4859229-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1989-08-22 US 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-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 CYP1A2 1472/4885CYP2C9 2340/4885CYP2C19 1388/4885
US-20060167087-A1 Substituted aniline derivatives CYP3A43, UGT2B7, CYP3A7 CYP1A2 9/4885CYP2C9 12/4885CYP2C19 11/4885

“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.