SCHEMBL5458049

SCHEMBL5458049

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGDR2 Q9Y5Y4 13/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL5451031 0.93 ALDH1A1 (0.42) TSHRGAAALOX15PTGDR2NPC1
SCHEMBL5459679 0.93 KMT2A (0.37) GAAPTGDR2SMN1; SMN2NPC1KMT2A
SCHEMBL5458929 0.89 ALDH1A1 (0.39) PTGDR2NPC1KMT2AALDH1A1HPGD
SCHEMBL5452215 0.87 LMNA (0.39) PTGDR2NPC1KMT2AALDH1A1HPGD
SCHEMBL5445292 0.86 TSHR (0.45) TSHRGAAALOX15PTGDR2SMN1; SMN2
SCHEMBL5459211 0.80 ALDH1A1 (0.52) TSHRGAAALOX15PTGDR2NPC1
SCHEMBL5454884 0.80 ALDH1A1 (0.45) TSHRGAAALOX15SMN1; SMN2NPC1
SCHEMBL5458935 0.79 GAA (0.43) TSHRGAAALOX15PTGDR2SMN1; SMN2
SCHEMBL5452471 0.77 MAPT (0.40) TSHRGAAALOX15SMN1; SMN2NPC1
SCHEMBL5456768 0.77 KMT2A (0.45) GAAPTGDR2SMN1; SMN2NPC1KMT2A

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 TSHR 1155/4885GAA 639/4885ALOX15 1841/4885

“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.