SCHEMBL2391747

SCHEMBL2391747

O=C(O)N[C@H]1CCN(S(=O)(=O)c2c[nH]c(=O)c3ccc(Br)cc23)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.43
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SOS1 Q07889 1/20 0.34

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
SCHEMBL2395689 1.00 EPHX2 (0.43) EPHX2MMP2MMP13SIGMAR1LMNA
SCHEMBL2394467 0.94 EPHX2 (0.49) EPHX2SIGMAR1LMNAKDM4EALDH1A1
SCHEMBL12259607 0.87 BRD4 (0.49) EPHX2MMP2MMP13
SCHEMBL12259608 0.87 BRD4 (0.49) EPHX2MMP2MMP13
SCHEMBL2392198 0.82 EPHX2 (0.41) EPHX2MMP2MMP13LMNAALDH1A1
SCHEMBL12259605 0.81 EPHX2 (0.45) EPHX2LMNA
SCHEMBL6110397 0.79 EPHX2 (0.53) EPHX2MMP2MMP13LMNA
SCHEMBL12310154 0.79 EPHX2 (0.43) EPHX2LMNAKDM4EALDH1A1
SCHEMBL2392201 0.78 LMNA (0.41) EPHX2LMNA
SCHEMBL1710318 0.77 PKM (0.43) EPHX2LMNA

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 3078/4885MMP2 2347/4885MMP13 4478/4885

“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.