SCHEMBL5453637

SCHEMBL5453637

Cc1cc(NS(=O)(=O)c2ccc(C(N)=O)cc2)nc(C)n1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.71
AGO2 Q9UKV8 1/20 0.71
ALDH1A1 P00352 6/20 0.64
LMNA P02545 4/20 0.64
KDM4E B2RXH2 1/20 0.64
HSD11B1 P28845 1/20 0.61
POLB P06746 3/20 0.61
TDP1 Q9NUW8 1/20 0.60
USP2 O75604 1/20 0.60
GFER P55789 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 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
Sulfisomidine SCHEMBL34791 0.83 PDE4A (1.00) PDE4AAGO2ALDH1A1LMNAKDM4E
Sulfisomidine SCHEMBL284793 0.82 PDE4A (0.97) PDE4AAGO2ALDH1A1LMNAKDM4E
SCHEMBL5450137 0.82 ALDH1A1 (0.68) ALDH1A1LMNAKDM4EPOLBTDP1
SCHEMBL1828300 0.80 PDE4A (0.74) PDE4AAGO2ALDH1A1LMNAKDM4E
SCHEMBL1381858 0.80 PDE4A (0.73) PDE4AAGO2ALDH1A1LMNAKDM4E
Sulfamethazine SCHEMBL28086389 0.77 PDE4A (0.87) PDE4AAGO2ALDH1A1LMNAKDM4E
SCHEMBL11757838 0.77 PDE4A (0.69) PDE4AAGO2ALDH1A1LMNAKDM4E
SCHEMBL21637832 0.77 USP2 (0.71) ALDH1A1LMNAKDM4EPOLBUSP2
SCHEMBL12464128 0.77 POLB (0.66) PDE4AAGO2ALDH1A1LMNAKDM4E
SCHEMBL2854889 0.77 ALDH1A1 (0.70) ALDH1A1L3MBTL1MEN1KMT2A

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 PDE4A 137/4885AGO2 3286/4885ALDH1A1 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.