SCHEMBL5479477

SCHEMBL5479477

O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.63
NPBWR1 P48145 1/20 0.62
MCHR1 Q99705 1/20 0.62
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 1/20 0.56
HSD17B10 Q99714 1/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.52

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
SCHEMBL31212433 0.85 MEN1 (0.67) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL31212426 0.85 MEN1 (0.67) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL5461736 0.82 MEN1 (0.70) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL17628468 0.82 KMT2A (0.70) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL5915300 0.80 MEN1 (0.75) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL30361161 0.79 SMN1; SMN2 (0.77) NPBWR1MCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL14470092 0.78 MEN1 (0.81) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL14469937 0.78 MEN1 (0.67) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL31212429 0.78 MEN1 (0.67) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL27672498 0.75 VCAM1 (0.64) VCAM1NPBWR1MCHR1MEN1KMT2A

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 4392/4885NPBWR1 75/4885MCHR1 228/4885

“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.