SCHEMBL5455334

SCHEMBL5455334

Cc1ccnc(NS(=O)(=O)c2ccc(C(N)=O)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.71
CYP2C9 P11712 1/20 0.71
FASN P49327 1/20 0.68
NPSR1 Q6W5P4 1/20 0.66
MAPK1 P28482 1/20 0.64
TP53 P04637 1/20 0.63
ALDH1A1 P00352 2/20 0.62
POLB P06746 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.61
RXFP1 Q9HBX9 1/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL5450137 0.85 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2AGAA
Sulfamerazine SCHEMBL28028780 0.83 MAPT (0.94) MAPTCYP2C9FASNNPSR1MAPK1
Sulfamerazine SCHEMBL33999 0.83 MAPT (1.00) MAPTCYP2C9FASNNPSR1MAPK1
Sulfamerazine SCHEMBL29538415 0.83 MAPT (1.00) MAPTCYP2C9FASNNPSR1MAPK1
SCHEMBL14081433 0.83 MAPT (0.78) MAPTCYP2C9FASNNPSR1MAPK1
SCHEMBL3121930 0.83 AURKA (0.66) MAPTTP53ALDH1A1POLBMEN1
Sulfamerazine SCHEMBL8159446 0.82 MAPT (0.92) MAPTCYP2C9FASNNPSR1MAPK1
Sulfamerazine SCHEMBL93591 0.82 MAPT (0.97) MAPTCYP2C9FASNNPSR1MAPK1
Sulfamerazine SCHEMBL5871007 0.82 MAPT (0.97) MAPTCYP2C9FASNNPSR1MAPK1
SCHEMBL17507876 0.81 FASN (1.00) MAPTCYP2C9FASNMAPK1TP53

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 MAPT 577/4885CYP2C9 725/4885FASN 3278/4885

“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.