SCHEMBL5458136

SCHEMBL5458136

COc1ccccc1NS(=O)(=O)c1ccc(C(N)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 1.00
SMN1; SMN2 Q16637 3/20 0.67
ALDH1A1 P00352 2/20 0.67
KDM4E B2RXH2 1/20 0.67
HSD17B10 Q99714 1/20 0.67
HTT P42858 1/20 0.66
LIMK2 P53671 1/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
GAA P10253 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
RAB9A P51151 2/20 0.58
RAD52 P43351 1/20 0.55

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
SCHEMBL8711266 0.87 POLB (0.78) POLBSMN1; SMN2ALDH1A1HTTLIMK2
SCHEMBL3274401 0.84 POLB (0.72) POLBSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL2246137 0.82 POLB (0.70) POLBSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL3380247 0.82 POLB (0.68) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL7571620 0.81 POLB (0.68) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL789616 0.81 KEAP1 (0.72) POLBALDH1A1HTTKMT2AMEN1
SCHEMBL7572319 0.81 POLB (0.68) POLBSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL7586724 0.80 NPC1 (0.68) POLBSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL2835167 0.80 POLB (0.66) POLBSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL23014053 0.79 POLB (0.65) POLBSMN1; SMN2ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO 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 POLB 2352/4885SMN1; SMN2 773/4885ALDH1A1 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.