SCHEMBL5467487

SCHEMBL5467487

Cc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 7/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
NPBWR1 P48145 1/20 0.54
MCHR1 Q99705 1/20 0.54
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5461806 0.93 TP53 (0.56) VCAM1KMT2AMEN1NPBWR1MCHR1
SCHEMBL5473761 0.85 KMT2A (0.70) VCAM1KMT2AMEN1NPBWR1MCHR1
SCHEMBL5479450 0.82 TP53 (0.53) KMT2AMEN1TP53MAPTPOLB
SCHEMBL25754772 0.81 KMT2A (0.55) KMT2AMEN1TP53MAPTPOLB
SCHEMBL5466708 0.80 VCAM1 (0.56) VCAM1KMT2AMEN1NPBWR1MCHR1
SCHEMBL2985916 0.78 KMT2A (0.71) VCAM1KMT2AMEN1NPBWR1MCHR1
SCHEMBL2998796 0.77 KMT2A (0.67) VCAM1KMT2AMEN1NPBWR1MCHR1
SCHEMBL5461695 0.76 KMT2A (0.66) VCAM1KMT2AMEN1NPBWR1MCHR1
SCHEMBL5478374 0.76 TP53 (0.62) KMT2AMEN1TP53MAPTPOLB
SCHEMBL5467029 0.76 VCAM1 (0.56) VCAM1KMT2AMEN1NPBWR1MCHR1

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 VCAM1 4392/4885KMT2A 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.