SCHEMBL2392201

SCHEMBL2392201

CN(C(=O)O)C1CCN(S(=O)(=O)c2c[nH]c(=O)c3ccc(Br)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
EPHX2 P34913 3/20 0.39
NPY5R Q15761 3/20 0.38
CNR2 P34972 1/20 0.37
CASP6 P55212 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 1/20 0.34
ADRA2A P08913 1/20 0.33
MCHR1 Q99705 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL12259606 0.88 JAK2 (0.40) LMNAEPHX2NPY5RCNR2GAA
SCHEMBL2394467 0.81 EPHX2 (0.49) LMNAEPHX2
SCHEMBL2392198 0.80 EPHX2 (0.41) LMNAEPHX2FAAHTSHR
SCHEMBL1710318 0.79 PKM (0.43) LMNAEPHX2GAA
SCHEMBL2392681 0.78 MAPT (0.41) LMNANPY5RCNR2SMN1; SMN2ADRA2A
SCHEMBL2391747 0.78 EPHX2 (0.43) LMNAEPHX2
SCHEMBL2395689 0.78 EPHX2 (0.43) LMNAEPHX2
SCHEMBL12259605 0.77 EPHX2 (0.45) LMNAEPHX2
SCHEMBL1710700 0.76 KMT2A (0.40) LMNAEPHX2GAA
SCHEMBL12310154 0.75 EPHX2 (0.43) LMNAEPHX2

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 LMNA 1339/4885EPHX2 3078/4885NPY5R 1033/4885

“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.