SCHEMBL29326630

SCHEMBL29326630

Cc1nc(N[C@@H]2CCCC[C@@H](O)C2)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.52
KCNH2 Q12809 1/20 0.52
IL1B P01584 12/20 0.50
TNF P01375 3/20 0.50
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36

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
SCHEMBL27182193 0.98 IL1B (0.52) NLRP3KCNH2IL1BTNF
SCHEMBL30375405 0.98 IL1B (0.52) NLRP3KCNH2IL1BTNF
SCHEMBL30684741 0.98 IL1B (0.52) NLRP3KCNH2IL1BTNF
SCHEMBL26092873 0.98 IL1B (0.52) NLRP3KCNH2IL1BTNF
Hydrochloric Acid SCHEMBL29975485 0.97 IL1B (0.52) NLRP3KCNH2IL1BTNF
SCHEMBL29326473 0.94 NLRP3 (0.52) NLRP3KCNH2IL1BTNF
SCHEMBL29326452 0.94 NLRP3 (0.52) NLRP3KCNH2IL1BTNF
SCHEMBL29975632 0.92 NLRP3 (0.55) NLRP3KCNH2IL1BTNFGABBR2
SCHEMBL24696179 0.91 NLRP3 (0.54) NLRP3KCNH2IL1BTNFGABBR2
SCHEMBL24695701 0.91 NLRP3 (0.54) NLRP3KCNH2IL1BTNF

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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD NLRP3 1/4885KCNH2 2120/4885IL1B 11/4885

“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.