SCHEMBL30488495

SCHEMBL30488495

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.41
ALDH1A1 P00352 12/20 0.40
GAA P10253 9/20 0.40
KDM4E B2RXH2 9/20 0.40
HPGD P15428 6/20 0.40
HSD17B10 Q99714 6/20 0.40
HTT P42858 2/20 0.40
CASP1 P29466 3/20 0.40
KCNH3 Q9ULD8 2/20 0.40
RCE1 Q9Y256 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 4/20 0.39
KMT2A Q03164 2/20 0.39
CSNK2A1 P68400 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
HCRTR1 O43613 1/20 0.38

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
SCHEMBL25856345 1.00 TNK2 (0.41) TNK2ALDH1A1GAAKDM4EHPGD
SCHEMBL30488545 1.00 TNK2 (0.41) TNK2ALDH1A1GAAKDM4EHPGD
SCHEMBL25862365 1.00 TNK2 (0.41) TNK2ALDH1A1GAAKDM4EHPGD
SCHEMBL29030601 1.00 TNK2 (0.41) TNK2ALDH1A1GAAKDM4EHPGD
SCHEMBL25296656 0.84 CACNA2D1 (0.42) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL25256876 0.84 CACNA2D1 (0.42) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL25862420 0.84 CACNA2D1 (0.42) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL29326412 0.83 NLRP3 (0.48) TNK2ALDH1A1GAAKDM4EHPGD
SCHEMBL25300770 0.81 NLRP3 (0.46) TNK2ALDH1A1GAAKDM4EHPGD
SCHEMBL30488484 0.81 NLRP3 (0.46) TNK2ALDH1A1GAAKDM4EHPGD

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
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
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 TNK2 1168/4885ALDH1A1 3156/4885GAA 1894/4885

“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.