SCHEMBL2393024

SCHEMBL2393024

O=C(O)NC1CCN(S(=O)(=O)c2cn(CC3CC3)c(=O)c3ccc(Br)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
EPHX2 P34913 4/20 0.43
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 2/20 0.38
MAPK8 P45983 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2392677 0.89 MAPT (0.43) MAPTTP53RXFP1EPHX2LMNA
SCHEMBL12259612 0.87 DRD2 (0.42) MAPTTP53RXFP1EPHX2LMNA
SCHEMBL12310249 0.86 MAPT (0.39) MAPTTP53RXFP1EPHX2LMNA
SCHEMBL1722727 0.85 ALDH1A1 (0.42) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL2392681 0.83 MAPT (0.41) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL2395625 0.82 ALDH1A1 (0.40) MAPTTP53RXFP1EPHX2LMNA
SCHEMBL1710652 0.79 FPR2 (0.43) MAPTEPHX2LMNAALDH1A1KMT2A
SCHEMBL2394709 0.78 MAPK14 (0.49)
SCHEMBL12259613 0.78 JAK2 (0.39) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL2394467 0.77 EPHX2 (0.49) EPHX2LMNAALDH1A1KMT2AMEN1

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 MAPT 955/4885TP53 653/4885RXFP1 4102/4885

“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.