SCHEMBL5454876

SCHEMBL5454876

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
HTR1A P08908 4/20 0.41
HTR1D P28221 4/20 0.41
HTR1B P28222 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 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
SCHEMBL5452488 0.91 LMNA (0.42) HTR6KMT2AALDH1A1KDM4EMEN1
SCHEMBL5451045 0.91 MAPT (0.45) HTR6KMT2AALDH1A1KDM4EMEN1
SCHEMBL5450989 0.91 GAA (0.52) HTR6KMT2AALDH1A1KDM4EMEN1
SCHEMBL5457016 0.90 ALDH1A1 (0.45) HTR6KMT2AALDH1A1KDM4EMEN1
SCHEMBL5456965 0.90 TP53 (0.47) HTR6KMT2AALDH1A1KDM4EMEN1
SCHEMBL5452778 0.89 CA1 (0.43) HTR6KMT2AALDH1A1KDM4EMEN1
SCHEMBL5458935 0.88 GAA (0.43) HTR6KMT2AALDH1A1KDM4EALOX15
SCHEMBL5454819 0.88 ALDH1A1 (0.47) HTR6KMT2AALDH1A1KDM4EMEN1
SCHEMBL5465837 0.88 USP2 (0.49) HTR6KMT2AALDH1A1MEN1MAPT
SCHEMBL14596914 0.88 ALDH1A1 (0.49) HTR6KMT2AALDH1A1KDM4EMEN1

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 HTR6 14/4885KMT2A 1271/4885ALDH1A1 816/4885

“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.