SCHEMBL1710700

SCHEMBL1710700

O=C(O)N1CCCN(S(=O)(=O)c2c[nH]c(=O)c3ccc(Br)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.39
F10 P00742 2/20 0.37
EPHX2 P34913 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1710318 0.96 PKM (0.43) KMT2APKMMEN1GAAEPHX2
SCHEMBL2394793 0.86 TGM2 (0.44) KMT2AMEN1GAAEPHX2
SCHEMBL2391300 0.81 TGM2 (0.45) KMT2APKMMEN1EPHX2MAPT
SCHEMBL5447251 0.78 ALDH1A1 (0.52) KMT2APKMMEN1GAAF10
SCHEMBL2394467 0.77 EPHX2 (0.49) KMT2AMEN1EPHX2ALDH1A1LMNA
SCHEMBL5436955 0.77 SMN1; SMN2 (0.52) PKMGAAEPHX2POLBLMNA
SCHEMBL2394987 0.76 LMNA (0.34) KMT2APKMMEN1EPHX2LMNA
SCHEMBL2392198 0.76 EPHX2 (0.41) EPHX2ALDH1A1LMNAMAPT
SCHEMBL2392201 0.76 LMNA (0.41) GAAEPHX2LMNA
SCHEMBL2395625 0.75 ALDH1A1 (0.40) KMT2APKMMEN1GAAEPHX2

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-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed
EP-2344472-A1 ISOQUINOLINONE DERIVATIVES AstraZeneca AB (SE) 2011-07-20 EP disclosed
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-22 US disclosed
WO-2010039079-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-08 WO 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 KMT2A 2104/4885PKM 1010/4885MEN1 3451/4885

“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.