SCHEMBL5124651

SCHEMBL5124651

O=c1ccn(Cc2ccc(Br)cc2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DUT P33316 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
EP300 Q09472 1/20 0.41
CRBN Q96SW2 2/20 0.40
MMP1 P03956 1/20 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
SCHEMBL29777943 0.84 L3MBTL1 (0.60) DUTL3MBTL1PKMKMT2AALDH1A1
SCHEMBL20333609 0.83 PKM (0.51) DUTL3MBTL1PKMEP300CRBN
SCHEMBL17371792 0.83 MAPT (0.51) DUTL3MBTL1PKMKMT2ASMN1; SMN2
SCHEMBL19370625 0.83 DUT (0.50) DUTL3MBTL1PKMALDH1A1LMNA
SCHEMBL20334334 0.83 MAPT (0.58) DUTL3MBTL1PKMKMT2AMEN1
SCHEMBL2800300 0.82 DUT (0.59) DUTALDH1A1CRBN
SCHEMBL25370943 0.80 ALDH1A1 (0.49) DUTL3MBTL1PKMALDH1A1LMNA
SCHEMBL7759057 0.80 MAPT (0.57) DUTL3MBTL1PKMKMT2AMEN1
SCHEMBL19370630 0.80 DUT (0.48) DUTL3MBTL1PKMALDH1A1LMNA
SCHEMBL23498250 0.79 EP300 (0.59) DUTL3MBTL1PKMKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096907-A1 Aryl, Pyrimidyl Compounds, Pharmaceutical Compositions Comprising them, Their Use as Antimicrobial Agents INSTITUT PASTEUR (FR) 2008-04-24 US disclosed
EP-1655288-A1 Aryl pyrimidyl compounds, pharmaceutical compositions comprising them, their use as antimicrobial agents INSTITUT PASTEUR (FR) 2006-05-10 EP 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-20080096907-A1 Aryl, Pyrimidyl Compounds, Pharmaceutical Compositions Comprising them, Their Use as Antimicrobial Agents TPMT, DHFR, TYMP DUT 15/4885L3MBTL1 4099/4885PKM 694/4885

“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.