SCHEMBL4290852

SCHEMBL4290852

CNC(=O)c1c(NC(=O)Cc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c(C)nn1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 5/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4288466 0.86 SMN1; SMN2 (0.47) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL8104093 0.71 KMT2A (0.49) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL7088107 0.70 ROCK2 (0.58) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL990297 0.69 ALDH1A1 (0.60) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL6246751 0.69 KMT2A (0.45) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL27874614 0.68 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ALMNATP53
SCHEMBL6906376 0.67 CACNA1H (0.48) POLBMAPTKMT2ALMNAMEN1
SCHEMBL5657581 0.67 MEN1 (0.70) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL8988041 0.67 POLB (0.57) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL6246258 0.67 SRD5A2 (0.58) ALDH1A1MAPTKMT2AMEN1MAPK1

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 4 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 claimed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP claimed
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 ALDH1A1 694/4885POLB 3501/4885MAPT 868/4885

“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.