SCHEMBL5452471

SCHEMBL5452471

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
HTR7 P34969 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38

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
SCHEMBL5454884 0.93 ALDH1A1 (0.45) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL5458935 0.90 GAA (0.43) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL5445292 0.89 TSHR (0.45) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL5456768 0.88 KMT2A (0.45) NPC1KMT2AALDH1A1LMNAHTR7
SCHEMBL5452778 0.87 CA1 (0.43) MAPTNPC1KMT2AALDH1A1LMNA
SCHEMBL5456965 0.86 TP53 (0.47) MAPTKMT2AALDH1A1TSHRLMNA
SCHEMBL5452488 0.85 LMNA (0.42) MAPTNPC1KMT2AALDH1A1LMNA
SCHEMBL5454876 0.85 HTR6 (0.43) MAPTNPC1KMT2AALDH1A1LMNA
SCHEMBL5459211 0.85 ALDH1A1 (0.52) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL5448382 0.84 ALDH1A1 (0.49) MAPTNPC1KMT2AALDH1A1TSHR

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 577/4885NPC1 1664/4885KMT2A 1271/4885

“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.