SCHEMBL5924422

SCHEMBL5924422

O=C1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.58
RECQL P46063 1/20 0.55
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53
CA12 O43570 1/20 0.53
MEN1 O00255 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
PTPRC P08575 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CES1 P23141 1/20 0.47
S100A4 P26447 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47

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
SCHEMBL4620082 0.82 RECQL (0.59) SCN2ARECQLKMT2AALDH1A1NR1H2
SCHEMBL10885870 0.82 RECQL (0.59) SCN2ARECQLKMT2AALDH1A1NR1H2
SCHEMBL29895481 0.82 RECQL (0.59) SCN2ARECQLKMT2AALDH1A1NR1H2
SCHEMBL11864526 0.82 CYP3A4 (0.59) SCN2ARECQLKMT2AALDH1A1NR1H2
SCHEMBL5924386 0.81 SCN2A (0.57) SCN2ARECQLKMT2ANR1H2NR1H3
SCHEMBL9113889 0.80 CA12 (0.72) SCN2ARECQLKMT2AALDH1A1NR1H2
SCHEMBL18806465 0.79 RECQL (0.62) SCN2ARECQLKMT2AALDH1A1NR1H2
SCHEMBL16592564 0.78 RECQL (0.62) SCN2ARECQLKMT2AALDH1A1NR1H2
SCHEMBL30758606 0.78 RECQL (0.62) SCN2ARECQLKMT2AALDH1A1NR1H2
SCHEMBL5653191 0.78 ALDH1A1 (0.64) KMT2AALDH1A1MEN1CTDSP1GABRA1

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-20060270628-A1 Antiinfective 1,2,3-triazole derivatives, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. 2006-11-30 US disclosed
WO-2004101531-A1 ANTIINFECTIVE 1,2,3-TRIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-25 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-20060270628-A1 Antiinfective 1,2,3-triazole derivatives, process for their preparation and pharmaceutical compositions containing them IL33, IL5, IL1B SCN2A 3732/4885RECQL 2001/4885KMT2A 4744/4885

“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.