SCHEMBL5459679

SCHEMBL5459679

CCN(CC)S(=O)(=O)c1ccc(C(C(=O)O)c2cc(CC(=O)N3CCc4c(OC)ccc(N5CCN(C)CC5)c4C3)ccc2S(=O)(=O)N(CC)CC)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGDR2 Q9Y5Y4 7/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
HTR7 P34969 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL5458929 0.95 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1PTGDR2HPGD
SCHEMBL5458049 0.93 TSHR (0.38) KMT2AALDH1A1SMN1; SMN2PTGDR2HPGD
SCHEMBL5451031 0.89 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1PTGDR2HPGD
SCHEMBL5452215 0.88 LMNA (0.39) KMT2AALDH1A1PTGDR2HPGDNPC1
SCHEMBL5454884 0.86 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL5456768 0.81 KMT2A (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2PTGDR2
SCHEMBL5452471 0.80 MAPT (0.40) KMT2AALDH1A1SMN1; SMN2GAANPC1
SCHEMBL5445292 0.79 TSHR (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2PTGDR2
SCHEMBL5458935 0.78 GAA (0.43) KMT2AALDH1A1SMN1; SMN2PTGDR2GAA
SCHEMBL5444094 0.76 GFER (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2PTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US 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 KMT2A 1271/4885MEN1 385/4885ALDH1A1 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.