SCHEMBL4554609

SCHEMBL4554609

O=C(Cn1ccnc1)c1ccc(Br)cn1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
ALPG P10696 2/20 0.48
ALPI P09923 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PLAA Q9Y263 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45

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
SCHEMBL14069484 0.83 CYP19A1 (0.50) CYP19A1ALPGALPITDP1PLAA
SCHEMBL8537952 0.83 CYP19A1 (0.50) CYP19A1ALPGALPITDP1PLAA
SCHEMBL10247467 0.79 CYP19A1 (0.72) CYP19A1ALPGALPITDP1PLAA
Hydrochloric Acid SCHEMBL408248 0.78 CYP19A1 (0.70) CYP19A1ALPGALPITDP1PLAA
SCHEMBL11022381 0.78 CYP19A1 (0.54) CYP19A1ALPGALPITDP1PLAA
SCHEMBL15286081 0.77 MAPK1 (0.41) CYP19A1ALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL15286082 0.77 MAPK1 (0.41) CYP19A1ALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL4890004 0.76 ALPL (0.51) ALPGPLAAALDH1A1KDM4E
SCHEMBL9996076 0.75 CYP19A1 (0.67) CYP19A1ALPGALPITDP1PLAA
SCHEMBL30998281 0.74 KDM4E (0.46) CYP19A1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013144224-A1 ACETYLENIC MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-10-03 WO disclosed
WO-2013144224-A1 ACETYLENIC MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-10-03 WO disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
EP-2134721-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
EP-1753754-A1 3- '4- {6-SUBSTITUTED ALKANOYL) PYRIDIN-3-YL} -3-PHENYL! -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2007-02-21 EP disclosed
WO-2005116022-A1 3- `4- {6-SUBSTITUTED ALKANOYL) PYRIDIN-3-YL} -3-PHENYL! -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-12-08 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-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents MRPL21, ARG1, OXA1L CYP19A1 3601/4885ALPG 3966/4885ALPI 228/4885
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 CYP19A1 2036/4885ALPG 1148/4885ALPI 8/4885

“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.