SCHEMBL4284526

SCHEMBL4284526

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
F2 P00734 2/20 0.41
PLAU P00749 2/20 0.41
ELANE P08246 2/20 0.41
KLKB1 P03952 1/20 0.41
CTRB1 P17538 1/20 0.41
MAPT P10636 6/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
XDH P47989 1/20 0.39
MAPK1 P28482 3/20 0.39

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
SCHEMBL18048258 0.81 L3MBTL1 (0.42) KDM4ESMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL4285291 0.80 TP53 (0.44) KDM4ESMN1; SMN2F2PLAUELANE
SCHEMBL28916239 0.80 MAPT (0.43) KDM4ESMN1; SMN2F2PLAUELANE
SCHEMBL3846829 0.80 GAA (0.44) KDM4ESMN1; SMN2F2PLAUELANE
SCHEMBL28916204 0.79 KDM4E (0.42) KDM4ESMN1; SMN2F2PLAUELANE
SCHEMBL4279856 0.78 RAB9A (0.43) KDM4ESMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL1639488 0.77 GAA (0.57) KDM4ESMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL4285161 0.76 MAPT (0.41) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL1873627 0.74 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNPSR1ALDH1A1KMT2A
SCHEMBL1558732 0.74 L3MBTL1 (0.60) SMN1; SMN2MAPTNPSR1ALDH1A1KMT2A

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 KDM4E 810/4885SMN1; SMN2 4064/4885F2 4077/4885

“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.