SCHEMBL5453601

SCHEMBL5453601

CC(C)NS(=O)(=O)c1ccc(C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 3/20 0.54
CA2 P00918 2/20 0.53
ADAMTS4 O75173 1/20 0.49
POLB P06746 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CRHBP P24387 1/20 0.47

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
SCHEMBL12376738 0.84 SLC1A3 (0.60) NPSR1LMNACA2ADAMTS4CA12
SCHEMBL2594879 0.84 NPSR1 (0.59) NPSR1LMNACA2ADAMTS4CA12
SCHEMBL3649154 0.80 PTPN11 (0.57) LMNACA2ADAMTS4POLBCA1
SCHEMBL1870821 0.79 CA2 (0.59) LMNACA2POLBCA12CA1
SCHEMBL13543279 0.79 NPSR1 (0.51) NPSR1LMNAADAMTS4POLBMEN1
SCHEMBL13545225 0.79 NPSR1 (0.55) NPSR1LMNAPOLBMEN1KMT2A
SCHEMBL27214045 0.78 NPSR1 (0.54) NPSR1LMNAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5344895 0.78 CA2 (0.57) LMNACA2POLBCA12CA1
SCHEMBL12190345 0.77 CA2 (0.61) CA2POLBCA12CA1CA9
SCHEMBL3747089 0.77 ADAMTS4 (0.58) NPSR1LMNACA2ADAMTS4POLB

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 NPSR1 53/4885LMNA 1833/4885CA2 4522/4885

“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.