SCHEMBL4893361

SCHEMBL4893361

O=C(c1cccc([N+](=O)[O-])c1[N+](=O)[O-])N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL12260740 0.86 KMT2A (0.60) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL17749697 0.85 KMT2A (0.58) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2378215 0.85 KMT2A (0.75) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL30073534 0.85 KMT2A (0.58) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL28534582 0.83 RXFP1 (0.51) SMN1; SMN2ALDH1A1LMNAPOLBMAPT
SCHEMBL4462435 0.82 KMT2A (0.61) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL17749759 0.79 KMT2A (0.58) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL13983152 0.77 KDM4E (0.53) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL11722513 0.76 CA12 (0.70) KMT2ASMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL9760661 0.75 MAPT (0.77) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-06-05 US 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-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA KMT2A 726/4885L3MBTL1 2376/4885SMN1; SMN2 2569/4885

“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.