SCHEMBL5455007

SCHEMBL5455007

COc1cccc(CNS(=O)(=O)c2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.66
ALDH1A1 P00352 4/20 0.61
POLB P06746 2/20 0.61
MEN1 O00255 1/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 1/20 0.61
KCNA5 P22460 1/20 0.60
NAMPT P43490 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 1/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
AKR1C3 P42330 1/20 0.53

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
SCHEMBL6608558 0.86 TSHR (0.76) CYP19A1ALDH1A1POLBNAMPTTSHR
SCHEMBL4662858 0.86 CYP19A1 (0.74) CYP19A1ALDH1A1POLBMEN1GAA
SCHEMBL20946439 0.85 CYP19A1 (0.72) CYP19A1ALDH1A1POLBMEN1GAA
SCHEMBL10047336 0.83 CYP19A1 (0.76) CYP19A1ALDH1A1POLBMEN1GAA
SCHEMBL5444153 0.83 CYP19A1 (0.66) CYP19A1ALDH1A1POLBMEN1GAA
SCHEMBL26229835 0.82 CYP19A1 (0.69) CYP19A1ALDH1A1POLBMEN1GAA
SCHEMBL30504862 0.82 CYP19A1 (0.72) CYP19A1ALDH1A1POLBMEN1GAA
SCHEMBL5444156 0.82 CYP19A1 (0.72) CYP19A1ALDH1A1POLBMEN1GAA
SCHEMBL5458763 0.81 ALDH1A1 (0.64) CYP19A1ALDH1A1NAMPTL3MBTL1TSHR
SCHEMBL5458079 0.81 KEAP1 (0.69) ALDH1A1POLBL3MBTL1TSHR

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 3 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
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 CYP19A1 235/4885ALDH1A1 816/4885POLB 2352/4885

“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.