SCHEMBL4895422

SCHEMBL4895422

O=C(CCCN1CCOCC1)c1ccc(Br)cn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
MPI P34949 1/20 0.53
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.45
AKR1C3 P42330 1/20 0.44
CYP2J2 P51589 1/20 0.43

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
SCHEMBL4895232 0.86 TSHR (0.50) ALDH1A1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL16545964 0.76 ALDH1A1 (0.52) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL2379474 0.74 SMN1; SMN2 (0.70) ALDH1A1MAPTKMT2ATSHRSMN1; SMN2
SCHEMBL19127212 0.73 ALDH1A1 (0.53) ALDH1A1KMT2ATSHRSMN1; SMN2KDM4E
SCHEMBL14280840 0.73 RAB9A (0.57) ALDH1A1MAPTKMT2ALMNATSHR
SCHEMBL13403411 0.72 ALDH1A1 (0.57) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL27422459 0.71 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRSMN1; SMN2KDM4E
SCHEMBL1255024 0.71 TSHR (0.57) ALDH1A1KMT2ALMNATSHRKDM4E
SCHEMBL12123789 0.71 ALDH1A1 (0.97) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL21813123 0.71 TSHR (0.50) ALDH1A1MAPTKMT2ALMNAMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ALDH1A1 189/4885MAPT 4276/4885KMT2A 4286/4885

“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.