SCHEMBL5451045

SCHEMBL5451045

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.41
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
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 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
SCHEMBL5454876 0.91 HTR6 (0.43) MAPTALDH1A1LMNAHTR6KMT2A
SCHEMBL5452488 0.89 LMNA (0.42) MAPTALDH1A1LMNAHTR6KMT2A
SCHEMBL5450989 0.88 GAA (0.52) MAPTALDH1A1LMNAHTR6KMT2A
SCHEMBL5455125 0.88 LMNA (0.51) MAPTALDH1A1LMNATSHRKMT2A
SCHEMBL5465837 0.88 USP2 (0.49) MAPTALDH1A1LMNATSHRHTR6
SCHEMBL5456965 0.87 TP53 (0.47) MAPTALDH1A1LMNATSHRHTR6
SCHEMBL5457016 0.87 ALDH1A1 (0.45) MAPTALDH1A1LMNAHTR6KMT2A
SCHEMBL5455059 0.87 MOGAT2 (0.50) MAPTALDH1A1HTR6KMT2AKDM4E
SCHEMBL5452778 0.87 CA1 (0.43) MAPTALDH1A1LMNAHTR6KMT2A
SCHEMBL5455208 0.86 THRB (0.47) MAPTLMNAHTR6KMT2AMEN1

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 MAPT 577/4885ALDH1A1 816/4885LMNA 1833/4885

“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.