SCHEMBL21962355

SCHEMBL21962355

OC1CCc2cscc2C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DRD2 P14416 2/20 0.33
DRD1 P21728 1/20 0.33
MAPT P10636 2/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CHRM3 P20309 1/20 0.30

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
SCHEMBL31564076 0.73 MAPT (0.55) DRD2MAPTNFKB1THPOHIF1A
SCHEMBL21159649 0.73 ALDH1A1 (0.36) MAPTALDH1A1KDM4ECHRM3
SCHEMBL31564212 0.73 MAPT (0.55) DRD2MAPTNFKB1THPOHIF1A
SCHEMBL31563805 0.73 MAPT (0.55) DRD2MAPTNFKB1THPOHIF1A
SCHEMBL31564615 0.72 DRD2 (0.59) DRD2DRD1DRD4DRD3CHRM3
Hydrochloric Acid SCHEMBL31564486 0.71 MAPT (0.53) DRD2MAPTNFKB1THPOHIF1A
Hydrochloric Acid SCHEMBL31564358 0.71 DRD2 (0.58) DRD2DRD1DRD4DRD3CHRM3
SCHEMBL6951241 0.70 ANPEP (0.57) CYP1A2CYP11B1CYP11B2
SCHEMBL291460 0.70 ANPEP (0.57) CYP1A2CYP11B1CYP11B2
SCHEMBL2943529 0.70 ANPEP (0.57) CYP1A2CYP11B1CYP11B2

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
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP 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 CYP1A2 1765/4885CYP11B1 103/4885CYP11B2 72/4885

“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.