SCHEMBL6513296

SCHEMBL6513296

COC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)CC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48

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
SCHEMBL5629195 0.86 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL17085330 0.83 PKM (0.68) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL31570077 0.83 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL202986 0.82 PKM (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL6160631 0.80 MAPT (0.72) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11448823 0.80 MAPT (0.68) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL17434413 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2911660 0.79 KMT2A (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL7968011 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6162009 0.78 PKM (0.53) ALDH1A1SMN1; SMN2LMNAMAPTGAA

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 ALDH1A1 4635/4885SMN1; SMN2 3724/4885KMT2A 1919/4885

“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.