SCHEMBL5474254

SCHEMBL5474254

O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
POLB P06746 1/20 0.67
VCAM1 P19320 3/20 0.66
NPBWR1 P48145 1/20 0.64
MCHR1 Q99705 1/20 0.64
LMNA P02545 1/20 0.64
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
AKR1C3 P42330 4/20 0.52
AKR1C1 Q04828 2/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 1/20 0.51
MAPT P10636 2/20 0.50

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
SCHEMBL5461068 0.81 MEN1 (0.61) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL5473761 0.81 KMT2A (0.70) MEN1KMT2AVCAM1NPBWR1MCHR1
SCHEMBL992819 0.79 VCAM1 (1.00) MEN1KMT2AVCAM1NPBWR1MCHR1
SCHEMBL20379965 0.79 KMT2A (0.76) MEN1KMT2APOLBLMNACYP3A4
SCHEMBL13973167 0.78 VCAM1 (0.58) MEN1KMT2AVCAM1NPBWR1MCHR1
SCHEMBL5915341 0.77 KMT2A (0.77) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL3622325 0.77 VCAM1 (0.76) MEN1KMT2APOLBVCAM1NPBWR1
SCHEMBL2985916 0.76 KMT2A (0.71) MEN1KMT2AVCAM1NPBWR1MCHR1
SCHEMBL6448884 0.76 KMT2A (0.69) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL6645331 0.76 MEN1 (0.71) MEN1KMT2APOLBLMNACYP3A4

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 MEN1 1223/4885KMT2A 1132/4885POLB 3320/4885

“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.