SCHEMBL5472525

SCHEMBL5472525

O=C1OCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 9/20 0.51
MEN1 O00255 7/20 0.51
POLB P06746 1/20 0.48
ACHE P22303 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR6 P50406 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL25754769 0.86 NPC1 (0.57) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL5461708 0.82 ALDH1A1 (0.57) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL5828166 0.81 PKM (0.51) ALDH1A1KMT2AMEN1HTR6
SCHEMBL5472744 0.80 KMT2A (0.57) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL5466433 0.80 LMNA (0.55) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL25754768 0.78 ACHE (0.51) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL25754716 0.78 NR1H3 (0.52) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL25754713 0.78 LMNA (0.50) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL5474904 0.77 KMT2A (0.66) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL4104412 0.75 KMT2A (0.66) LMNAALDH1A1KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 LMNA 2632/4885ALDH1A1 1875/4885KMT2A 1132/4885

“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.