SCHEMBL5464342

SCHEMBL5464342

COc1ccccc1CNS(=O)(=O)c1ccc(C(C(=O)O)N(Cc2ccccc2OC)S(=O)(=O)c2ccc(CC(=O)N3CCc4c(OC)ccc(N5CCN(C)CC5)c4C3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
LMNA P02545 4/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTR6 P50406 2/20 0.36
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5455208 0.89 THRB (0.47) THRBLMNAMAPK1HTTPOLB
SCHEMBL5449813 0.89 MAPT (0.43) LMNAPOLBKMT2AMAPTHPGD
SCHEMBL5465837 0.83 USP2 (0.49) LMNAMAPK1HTTPOLBGAA
SCHEMBL5446219 0.81 KMT2A (0.45) LMNAMAPK1HTTPTGDR2KMT2A
SCHEMBL5455125 0.79 LMNA (0.51) LMNAPOLBKMT2AMAPTHPGD
SCHEMBL5452488 0.79 LMNA (0.42) LMNAMAPK1HTTPOLBGAA
SCHEMBL5459211 0.78 ALDH1A1 (0.52) LMNAMAPK1HTTGAAPTGDR2
SCHEMBL5451045 0.78 MAPT (0.45) LMNAMAPK1HTTPOLBGAA
SCHEMBL5450989 0.78 GAA (0.52) LMNAMAPK1HTTGAAHSD17B10
SCHEMBL14596936 0.78 HTR1A (0.48) THRBLMNAPOLBHTR6L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A THRB 1039/4885LMNA 1833/4885MAPK1 3018/4885

“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.