SCHEMBL25256876

SCHEMBL25256876

C#Cc1ccc(-c2nnc(NC[C@H]3CCCO3)nc2C)c(OCOCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.42
ALDH1A1 P00352 13/20 0.40
HPGD P15428 11/20 0.40
KDM4E B2RXH2 9/20 0.40
HSD17B10 Q99714 8/20 0.40
GAA P10253 7/20 0.40
HTT P42858 4/20 0.40
MAPK1 P28482 6/20 0.38
MAPT P10636 4/20 0.38
CASP1 P29466 2/20 0.38
RCE1 Q9Y256 2/20 0.37
CSNK2A1 P68400 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
TSHR P16473 3/20 0.35

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
SCHEMBL25862420 1.00 CACNA2D1 (0.42) CACNA2D1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL25296656 1.00 CACNA2D1 (0.42) CACNA2D1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL25294628 0.86 CACNA2D1 (0.41) CACNA2D1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL25862416 0.86 CACNA2D1 (0.41) CACNA2D1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL25294629 0.86 CACNA2D1 (0.41) CACNA2D1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30488570 0.86 CACNA2D1 (0.41) CACNA2D1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30488545 0.84 TNK2 (0.41) CACNA2D1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30488495 0.84 TNK2 (0.41) CACNA2D1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL29030601 0.84 TNK2 (0.41) CACNA2D1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL25862365 0.84 TNK2 (0.41) CACNA2D1ALDH1A1HPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250152584-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-05-15 US disclosed
CN-119798221-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2025-04-11 CN disclosed
EP-4461729-A1 ANTIGEN BINDING PROTEIN TARGETING MSLN AND USE THEREOF Transthera Sciences (Nanjing), Inc. (CN) 2024-11-13 EP disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN 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-20250152584-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF NLRP3, NLRP1, PYCARD CACNA2D1 3026/4885ALDH1A1 3156/4885HPGD 1780/4885

“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.