SCHEMBL5457016

SCHEMBL5457016

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccc(S(=O)(=O)NC3CC3)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTR6 P50406 3/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 2/20 0.40
MAPT P10636 1/20 0.39
DRD2 P14416 4/20 0.39
ADRA1B P35368 4/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL5454819 0.97 ALDH1A1 (0.47) ALDH1A1LMNAHTTSMN1; SMN2HTR6
SCHEMBL5454876 0.90 HTR6 (0.43) ALDH1A1LMNAHTTSMN1; SMN2HTR6
SCHEMBL5452488 0.88 LMNA (0.42) ALDH1A1LMNAHTTSMN1; SMN2HTR6
SCHEMBL5451045 0.87 MAPT (0.45) ALDH1A1LMNAHTTSMN1; SMN2HTR6
SCHEMBL5450989 0.87 GAA (0.52) ALDH1A1LMNAHTTSMN1; SMN2HTR6
SCHEMBL5456965 0.87 TP53 (0.47) ALDH1A1LMNAHTTSMN1; SMN2HTR6
SCHEMBL5452778 0.86 CA1 (0.43) ALDH1A1LMNASMN1; SMN2HTR6KMT2A
SCHEMBL14596941 0.86 HTR1A (0.46) ALDH1A1LMNAHTTSMN1; SMN2HTR6
SCHEMBL5458935 0.85 GAA (0.43) ALDH1A1LMNASMN1; SMN2HTR6KMT2A
SCHEMBL5455125 0.85 LMNA (0.51) ALDH1A1LMNASMN1; SMN2KMT2AMEN1

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 816/4885LMNA 1833/4885HTT 322/4885

“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.