SCHEMBL4283112

SCHEMBL4283112

CCc1[nH]nc(C(=O)NC2CCCC2)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 3/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
ALDH1A1 P00352 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1558736 0.75 HCAR2 (0.57) MAPTALDH1A1HCAR2
SCHEMBL6363165 0.74 HCAR2 (0.44) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL4281475 0.69 HPGD (0.53) HTTLMNAMAPTHPGDSMN1; SMN2
SCHEMBL4281243 0.68 GAA (0.48) LMNAMAPTHPGDSMN1; SMN2RAB9A
SCHEMBL4006577 0.67 DYRK1A (0.62) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL16832074 0.65 HCAR2 (0.34) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL4288230 0.65 LMNA (0.65) HTTLMNAMAPTHPGDSMN1; SMN2
SCHEMBL9762363 0.65 KMT2A (0.46) HTTLMNAMAPTHPGDSMN1; SMN2
SCHEMBL2050024 0.63 HPGD (0.92) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2035287 0.62 HPGD (0.42) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1

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 HTT 4201/4885LMNA 2198/4885MAPT 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.