SCHEMBL5448382

SCHEMBL5448382

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccc(S(=O)(=O)N3CCC3)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR6 P50406 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 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
SCHEMBL5448663 0.98 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL5452778 0.88 CA1 (0.43) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL5458935 0.88 GAA (0.43) ALDH1A1KMT2AGAASMN1; SMN2HTR6
SCHEMBL5454876 0.87 HTR6 (0.43) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL5450989 0.86 GAA (0.52) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL5454884 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL5452488 0.85 LMNA (0.42) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL5445292 0.85 TSHR (0.45) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL5446341 0.85 MAPT (0.59) ALDH1A1KMT2AGAASMN1; SMN2MAPT
SCHEMBL5449891 0.85 GFER (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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.