SCHEMBL2391300

SCHEMBL2391300

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c[nH]c(=O)c3ccc(Br)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.45
F13A1 P00488 11/20 0.45
TGM1 P22735 8/20 0.45
TGM3 Q08188 1/20 0.45
EPHX2 P34913 1/20 0.41
BACE1 P56817 2/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 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
SCHEMBL2394793 0.96 TGM2 (0.44) TGM2F13A1TGM1TGM3EPHX2
SCHEMBL1710318 0.85 PKM (0.43) EPHX2MAPTMEN1PKMKMT2A
SCHEMBL2398197 0.82 NR1H2 (0.38)
SCHEMBL12259605 0.81 EPHX2 (0.45) EPHX2
SCHEMBL1710700 0.81 KMT2A (0.40) EPHX2MAPTMEN1PKMKMT2A
SCHEMBL12259606 0.81 JAK2 (0.40) EPHX2
SCHEMBL2393801 0.80 MEN1 (0.44) BACE1KDM4EMAPTMEN1KMT2A
SCHEMBL2226727 0.79 TGM2 (0.64) TGM2F13A1TGM1TGM3EPHX2
SCHEMBL2818818 0.79 TGM2 (0.50) TGM2F13A1TGM1TGM3EPHX2
SCHEMBL14490312 0.78 TGM2 (0.52) TGM2F13A1TGM1TGM3EPHX2

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-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-22 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-20100099665-A1 ISOQUINOLINONE DERIVATIVES SDHA, NQO1, CYP3A5 TGM2 1801/4885F13A1 3933/4885TGM1 1083/4885

“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.