SCHEMBL13155409

SCHEMBL13155409

COC(=O)c1cc([N+](=O)[O-])sn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
VCAM1 P19320 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL3561099 0.79 CASP6 (0.35) MAPK1MAPTKDM4ELMNAALDH1A1
SCHEMBL26910754 0.73 MAPK1 (0.43) MAPK1MAPTKDM4EALDH1A1NPSR1
SCHEMBL163883 0.73 MAPK1 (0.43) MAPK1MAPTKDM4EPOLBLMNA
SCHEMBL3101714 0.72 MAPK1 (0.42) MAPK1MAPTKDM4EALDH1A1TP53
SCHEMBL14036270 0.72 MAPK1 (0.46) MAPK1MAPTKDM4EALDH1A1TP53
SCHEMBL24215449 0.72 MAPK1 (0.42) MAPK1MAPTKDM4EPOLBLMNA
SCHEMBL17948753 0.72 MAPT (0.45) MAPK1SMN1; SMN2MAPTKDM4EPOLB
SCHEMBL21722938 0.69
SCHEMBL3884152 0.68 MAPT (0.50) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL13545967 0.68 ALDH1A1 (0.45) SMN1; SMN2MAPTKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 WO disclosed
WO-2008156614-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-24 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-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB MAPK1 1001/4885SMN1; SMN2 3814/4885VCAM1 4101/4885

“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.