SCHEMBL5478463

SCHEMBL5478463

O=C(Nc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl)c1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.66
KMT2A Q03164 5/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 8/20 0.56
TP53 P04637 3/20 0.56
NR1I2 O75469 1/20 0.52
RORA P35398 1/20 0.52
RORC P51449 1/20 0.52
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
RORB Q92753 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
AKR1C3 P42330 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL5466571 0.93 LMNA (0.63) LMNAKMT2AMEN1MAPTTP53
SCHEMBL5461627 0.91 LMNA (0.62) LMNAKMT2AMEN1MAPTTP53
SCHEMBL5468998 0.90 LMNA (0.68) LMNAKMT2AMEN1MAPTTP53
SCHEMBL5467360 0.88 LMNA (0.70) LMNAKMT2AMEN1MAPTTP53
SCHEMBL5469305 0.86 LMNA (0.61) LMNAKMT2AMEN1MAPTTP53
SCHEMBL5464507 0.85 LMNA (0.73) LMNAKMT2AMEN1MAPTTP53
SCHEMBL5467261 0.85 LMNA (0.73) LMNAKMT2AMEN1MAPTTP53
SCHEMBL5471844 0.85 LMNA (0.71) LMNAKMT2AMEN1MAPTTP53
SCHEMBL5467347 0.84 LMNA (0.63) LMNAKMT2AMEN1MAPTTP53
SCHEMBL5467377 0.84 LMNA (0.68) LMNAKMT2AMEN1MAPTTP53

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 2632/4885KMT2A 1132/4885MEN1 1223/4885

“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.