SCHEMBL25633336

SCHEMBL25633336

CC(F)(F)c1nn(CC(=O)O)c(=O)c2cc3ccccc3n12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
NPC1 O15118 1/20 0.48
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.43
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL25633338 0.90 THRB (0.48) THRBNPC1RXFP1TP53MAPT
SCHEMBL30279654 0.89 THRB (0.48) THRBNPC1RXFP1TP53MAPT
SCHEMBL25633320 0.89 THRB (0.48) THRBNPC1RXFP1TP53MAPT
SCHEMBL25633361 0.81 NLRP3 (0.51) THRBNPC1RXFP1TP53MAPT
SCHEMBL28965217 0.79 THRB (0.52) THRBNPC1RXFP1TP53MAPT
SCHEMBL25633342 0.79 NPC1 (0.72) THRBNPC1TP53MAPTNLRP3
SCHEMBL25633297 0.79 KDM4E (0.51) THRBNPC1RXFP1TP53
SCHEMBL30073549 0.79 KDM4E (0.51) THRBNPC1RXFP1TP53
SCHEMBL25633324 0.79 THRB (0.51) THRBNPC1RXFP1TP53MAPT
SCHEMBL25633347 0.78 THRB (0.51) THRBNPC1RXFP1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183249-A1 NEW TRIAZINOINDOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US disclosed
US-20230183249-A1 NEW TRIAZINOINDOLE COMPOUNDS 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-20230183249-A1 NEW TRIAZINOINDOLE COMPOUNDS NLRP3, NLRP1, PYCARD THRB 277/4885NPC1 364/4885RXFP1 456/4885

“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.