SCHEMBL1333780

SCHEMBL1333780

COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(NC(=O)OC(C)(C)C)cc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.42
BECN1 Q14457 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
CYP17A1 P05093 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRMT1 Q99873 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1333215 0.79 GAA (0.44) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL3664743 0.79 MYC (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1532248 0.76 KMT2A (0.59) BCL2BECN1MEN1KMT2AMAPT
SCHEMBL13633114 0.76 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL1334486 0.75 KDR (0.44) BCL2BECN1CYP17A1SIRT2MAP4K4
SCHEMBL4415459 0.75 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6162009 0.75 PKM (0.53) MAPTALDH1A1MMP1MMP2MMP9
SCHEMBL10305757 0.73 SIRT2 (0.47) MEN1KMT2AMAPTMMP1MMP2
SCHEMBL10193010 0.73 HTT (0.51) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL31557880 0.73 CYP17A1 (0.51) CYP17A1PSMB8MAP4K4

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-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-11-10 US disclosed
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-25 US disclosed
US-7129260-B2 Isoindolinone kinase inhibitors ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
US-20050026976-A1 Isoindolinone kinase inhibitors ABBOTT LABORATORIES 2005-02-03 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 (3 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-20050026976-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 BCL2 1293/4885BECN1 1059/4885MEN1 3281/4885
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABL1, LCK, MAP3K7 BCL2 1293/4885BECN1 1059/4885MEN1 3281/4885
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS MAP3K7, MAP3K5, MAP3K20 BCL2 1535/4885BECN1 1078/4885MEN1 3486/4885

“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.