SCHEMBL4512467

SCHEMBL4512467

CC(NC(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 5/20 0.48
HTT P42858 3/20 0.48
CYP3A4 P08684 2/20 0.48
GAA P10253 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 6/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 3/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4763126 0.86 POLB (0.60) POLBKMT2ASMN1; SMN2MAPTMEN1
SCHEMBL2439543 0.84 KDM4E (0.46) KMT2ASMN1; SMN2MAPTMEN1HTT
SCHEMBL4518862 0.84 ROCK2 (0.47) POLBKMT2ASMN1; SMN2MAPTMEN1
SCHEMBL6558080 0.82 POLB (0.52) POLBKMT2ASMN1; SMN2MAPTMEN1
SCHEMBL6558090 0.82 POLB (0.52) POLBKMT2ASMN1; SMN2MAPTMEN1
SCHEMBL4521169 0.82 HCAR3 (0.50) KMT2AMAPTMEN1HPGDLMNA
SCHEMBL28832884 0.80 ROCK2 (0.53) POLBKMT2ASMN1; SMN2MEN1HTT
SCHEMBL1552759 0.80 POLB (0.64) POLBKMT2ASMN1; SMN2MAPTMEN1
SCHEMBL1552760 0.80 POLB (0.64) POLBKMT2ASMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL4520942 0.79 POLB (0.63) POLBKMT2ASMN1; SMN2MAPTMEN1

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-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 POLB 2723/4885KMT2A 3194/4885SMN1; SMN2 3162/4885

“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.