SCHEMBL22012192

SCHEMBL22012192

CNCc1ccc([S+](N)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
NOS1 P29475 5/20 0.43
NOS2 P35228 2/20 0.43
NOS3 P29474 2/20 0.43
NCF1 P14598 2/20 0.40
ADRB2 P07550 1/20 0.37
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
HTR7 P34969 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL7375867 0.81 LOXL2 (0.47) LOXL2KDM4ECYP3A4MAPTNOS1
SCHEMBL22416040 0.80 TAAR1 (0.52) KDM4EMAPTCA1CA2
SCHEMBL20197679 0.79 LOXL2 (0.45) LOXL2KDM4ECYP3A4MAPTNOS1
SCHEMBL20943304 0.78 LOXL2 (0.44) LOXL2KDM4ECYP3A4MAPTNOS1
SCHEMBL2504209 0.76 KDM4E (0.68) LOXL2KDM4ECYP3A4MAPTNOS1
SCHEMBL20197958 0.76 LOXL2 (0.42) LOXL2KDM4ECYP3A4MAPTNOS1
Hydrochloric Acid SCHEMBL30925271 0.74 KDM4E (0.74) LOXL2KDM4ECYP3A4MAPTNOS1
SCHEMBL8341993 0.73 HRH3 (0.48) LOXL2KDM4EMAPTNOS1NOS2
SCHEMBL8229270 0.72 CA2 (0.48) MAPTCA2HTR2A
SCHEMBL13667748 0.71 TRPA1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 LOXL2 1004/4885KDM4E 4486/4885CYP3A4 2340/4885

“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.