SCHEMBL25258312

SCHEMBL25258312

CCOCOc1cc(C=O)ccc1-c1nnc(Cl)c(C2CC2)c1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
TACR2 P21452 1/20 0.35
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FDPS P14324 1/20 0.31
LMNA P02545 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
SCHEMBL29030544 0.95 ALDH1A1 (0.33) ALDH1A1TACR2HPGDKDM4ETDP1
SCHEMBL25858440 0.88 ALDH1A1 (0.35) ALDH1A1TACR2KDM4EFDPS
SCHEMBL25858451 0.86 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTFDPS
SCHEMBL25862575 0.80 TACR2 (0.38) ALDH1A1TACR2HPGDKDM4ETDP1
SCHEMBL25260757 0.80 ALDH1A1 (0.37) ALDH1A1TACR2HPGDKDM4ETDP1
SCHEMBL31197268 0.80 EHMT2 (0.35)
SCHEMBL25859857 0.80 ALDH1A1 (0.35) ALDH1A1TACR2KDM4EFDPS
SCHEMBL31314127 0.80 ALDH1A1 (0.35) ALDH1A1TACR2KDM4EFDPS
SCHEMBL31496006 0.79 DHFR (0.35) ALDH1A1TACR2HPGDKDM4ETDP1
SCHEMBL25858043 0.79 DHFR (0.35) ALDH1A1TACR2HPGDKDM4ETDP1

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
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
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

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 ALDH1A1 3156/4885TACR2 4031/4885HPGD 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.