SCHEMBL5455208

SCHEMBL5455208

COc1ccccc1CNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(OC)ccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
LMNA P02545 4/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HTR6 P50406 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL5465837 0.92 USP2 (0.49) LMNAPOLBMAPK1HTTHTR6
SCHEMBL5455125 0.89 LMNA (0.51) LMNAPOLBKMT2AMEN1MAPT
SCHEMBL5464342 0.89 THRB (0.39) THRBLMNAPOLBMAPK1HTT
SCHEMBL5452488 0.89 LMNA (0.42) LMNAPOLBMAPK1HTTHTR6
SCHEMBL14596936 0.88 HTR1A (0.48) THRBLMNAPOLBHTR6
SCHEMBL14596911 0.87 KMT2A (0.47) LMNAPOLBMAPK1HTTHTR6
SCHEMBL5456965 0.87 TP53 (0.47) LMNAPOLBMAPK1HTTHTR6
SCHEMBL5450240 0.87 KDM4E (0.45) MAPK1HTTHTR6KMT2AMEN1
SCHEMBL5454905 0.87 PKM (0.49) THRBLMNAPOLBHTR6KMT2A
SCHEMBL5454876 0.87 HTR6 (0.43) LMNAMAPK1HTTHTR6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A THRB 1039/4885LMNA 1833/4885POLB 2352/4885

“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.