SCHEMBL6401632

SCHEMBL6401632

CCC1(C)CC(=O)NN=C1c1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
GALR3 O60755 3/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 10/20 0.41
LMNA P02545 3/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
SLFN12 Q8IYM2 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.38
RECQL P46063 2/20 0.37
MCL1 Q07820 1/20 0.37
GRK6 P43250 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6399868 0.81 TSHR (0.40) MAPTGALR3THRBALDH1A1LMNA
SCHEMBL14600399 0.79 TSHR (0.34) PDE3BPDE3ATSHRNPSR1
SCHEMBL6400027 0.76 TRPA1 (0.38) TSHRCYP3A4NPSR1
SCHEMBL5337178 0.74 MAPT (0.59) MAPTGALR3THRBALDH1A1LMNA
SCHEMBL11367905 0.73 MAPT (0.44) MAPTGALR3THRBALDH1A1LMNA
SCHEMBL11357370 0.73 MAPT (0.44) MAPTGALR3THRBALDH1A1LMNA
SCHEMBL6400028 0.71 PDE4B (0.48) MAPTGALR3THRBALDH1A1LMNA
SCHEMBL7190826 0.68 TSHR (0.64) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL17117159 0.66 TSHR (0.62) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL2892328 0.63 AXL (0.46) MAPTGALR3THRBALDH1A1LMNA

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-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 US disclosed
EP-1404657-A1 PYRIDAZINONE Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003002541-A1 PYRIDAZINONE BAYER HEALTHCARE AG (DE) 2003-01-09 WO 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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK MAPT 2679/4885GALR3 3579/4885THRB 4004/4885

“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.