SCHEMBL5454884

SCHEMBL5454884

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
HTR7 P34969 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5452471 0.93 MAPT (0.40) ALDH1A1KMT2AHTR7GAAMAPT
SCHEMBL5456768 0.93 KMT2A (0.45) ALDH1A1KMT2AMEN1HTR7GAA
SCHEMBL5445292 0.92 TSHR (0.45) ALDH1A1KMT2AMEN1HTR7GAA
SCHEMBL5458935 0.91 GAA (0.43) ALDH1A1KMT2AGAAMAPTNPC1
SCHEMBL5452778 0.88 CA1 (0.43) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL5452488 0.87 LMNA (0.42) ALDH1A1KMT2AMEN1HTR7GAA
SCHEMBL5454876 0.87 HTR6 (0.43) ALDH1A1KMT2AMEN1HTR7GAA
SCHEMBL5459211 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL5459679 0.86 KMT2A (0.37) ALDH1A1KMT2AMEN1HTR7GAA
SCHEMBL5448382 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1GAAMAPT

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 ALDH1A1 816/4885KMT2A 1271/4885MEN1 385/4885

“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.