SCHEMBL25815807

SCHEMBL25815807

CCCc1cc(C(=O)OC)n(N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
CYP4F2 P78329 1/20 0.33

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
SCHEMBL4544326 0.88 L3MBTL1 (0.40) NPC1RAB9ASMN1; SMN2HSD17B10TDP1
SCHEMBL1299497 0.74 CA1 (0.44) HSD17B10TDP1GAAL3MBTL1KDM4E
SCHEMBL20859665 0.74 TDP1 (0.39) TDP1GAAL3MBTL1NPSR1KDM4E
SCHEMBL14791059 0.73 CA12 (0.41) RAB9AMAPK1SMN1; SMN2HSD17B10TDP1
SCHEMBL26015017 0.73 CA1 (0.45) RAB9ASMN1; SMN2GAANPSR1KDM4E
SCHEMBL1966318 0.73 NPSR1 (0.37) MAPK1SMN1; SMN2HSD17B10TDP1GAA
SCHEMBL1298784 0.73 ABL1 (0.42) NPC1RAB9ASMN1; SMN2HSD17B10GAA
SCHEMBL1298788 0.73 CA12 (0.38) NPC1RAB9ASMN1; SMN2HSD17B10TDP1
Hydrochloric Acid SCHEMBL29155899 0.71 NPSR1 (0.36) MAPK1SMN1; SMN2HSD17B10TDP1GAA
SCHEMBL16622900 0.70 KDM4E (0.45) HSD17B10KDM4EALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US 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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B NPC1 2094/4885RAB9A 4774/4885MAPK1 585/4885

“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.