SCHEMBL4285161

SCHEMBL4285161

CN(C(=O)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-])C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
CCR5 P51681 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
ATM Q13315 1/20 0.36
CNR1 P21554 1/20 0.36
FPR1 P21462 1/20 0.36
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ITK Q08881 1/20 0.35

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
SCHEMBL4289358 0.83 RAB9A (0.41) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL4279856 0.79 RAB9A (0.43) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL4284526 0.76 KDM4E (0.42) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL4286953 0.72 PDE10A (0.42) MAPTSMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL3456356 0.70 HPGD (0.62) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL34473543 0.68 LMNA (0.38) MAPTKMT2AMEN1HTTHPGD
SCHEMBL4359670 0.64 HPGD (0.59) KMT2AMEN1HTTSMN1; SMN2RAB9A
SCHEMBL7517927 0.63 PDE10A (0.44) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL1001922 0.63 HPGD (0.62) KMT2AMEN1HTTSMN1; SMN2RAB9A
SCHEMBL14374144 0.63 HPGD (0.62) KMT2AMEN1HTTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP MAPT 868/4885KMT2A 871/4885MEN1 1910/4885

“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.