SCHEMBL2394467

SCHEMBL2394467

O=C(O)NC1CCN(S(=O)(=O)c2c[nH]c(=O)c3ccc(Br)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.49
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SCHEMBL2391747 0.94 EPHX2 (0.43) EPHX2KDM4EALDH1A1LMNASIGMAR1
SCHEMBL2395689 0.94 EPHX2 (0.43) EPHX2KDM4EALDH1A1LMNASIGMAR1
SCHEMBL12259605 0.86 EPHX2 (0.45) EPHX2LMNA
SCHEMBL2392198 0.85 EPHX2 (0.41) EPHX2ALDH1A1LMNA
SCHEMBL12310154 0.85 EPHX2 (0.43) EPHX2KDM4EALDH1A1LMNAKMT2A
SCHEMBL2392201 0.81 LMNA (0.41) EPHX2LMNA
SCHEMBL1710318 0.81 PKM (0.43) EPHX2LMNAKMT2AMEN1
SCHEMBL12259608 0.81 BRD4 (0.49) EPHX2
SCHEMBL12259607 0.81 BRD4 (0.49) EPHX2
SCHEMBL1710700 0.77 KMT2A (0.40) EPHX2ALDH1A1LMNAKMT2AMEN1

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 EPHX2 3078/4885KDM4E 2182/4885ALDH1A1 121/4885

“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.