SCHEMBL4104412

SCHEMBL4104412

O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.66
MEN1 O00255 6/20 0.66
ATM Q13315 1/20 0.66
AKR1C3 P42330 2/20 0.63
POLB P06746 1/20 0.60
LMNA P02545 1/20 0.59
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
AKR1C1 Q04828 1/20 0.55

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
SCHEMBL5461095 0.96 KMT2A (0.61) KMT2AMEN1ATMAKR1C3POLB
SCHEMBL5467408 0.95 ALDH1A1 (0.62) KMT2AMEN1ATMAKR1C3POLB
SCHEMBL5474904 0.93 KMT2A (0.66) KMT2AMEN1ATMAKR1C3POLB
SCHEMBL5461708 0.85 ALDH1A1 (0.57) KMT2AMEN1ATMAKR1C3POLB
SCHEMBL5472415 0.83 LMNA (0.54) KMT2AMEN1ATMAKR1C3POLB
SCHEMBL5467636 0.83 LMNA (0.56) KMT2AMEN1ATMAKR1C3POLB
SCHEMBL5478426 0.83 KMT2A (0.57) KMT2AMEN1ATMAKR1C3POLB
SCHEMBL5469312 0.83 LMNA (0.56) KMT2AMEN1ATMAKR1C3POLB
SCHEMBL5476139 0.83 LMNA (0.56) KMT2AMEN1ATMPOLBLMNA
SCHEMBL5472744 0.82 KMT2A (0.57) KMT2AMEN1ATMAKR1C3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062258-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-05 US disclosed
US-20090062258-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-05 US disclosed
EP-1847541-A1 FUSED PYRIMIDINE DERIVATIVE AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed
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 (2 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 KMT2A 1132/4885MEN1 1223/4885ATM 2678/4885
US-20090062258-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF GNRHR, FSHR, NPY4R KMT2A 3073/4885MEN1 1766/4885ATM 2919/4885

“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.