SCHEMBL29326168

SCHEMBL29326168

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL1B P01584 4/20 0.44
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
SYK P43405 8/20 0.38
NLRP3 Q96P20 2/20 0.37
KCNH2 Q12809 1/20 0.37
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
MCHR1 Q99705 1/20 0.34

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
SCHEMBL29326120 0.88 NLRP3 (0.50) IL1BHDAC4HDAC6SYKNLRP3
SCHEMBL29326175 0.87 SYK (0.40) IL1BHDAC4HDAC6SYKNLRP3
SCHEMBL29326172 0.86 SYK (0.39) IL1BHDAC4HDAC6TAS1R3TAS1R1
SCHEMBL29326443 0.85 NLRP3 (0.52) IL1BTAS1R3TAS1R1TAS1R2NLRP3
SCHEMBL30684765 0.85 NLRP3 (0.52) IL1BTAS1R3TAS1R1TAS1R2NLRP3
SCHEMBL29326833 0.84 IL1B (0.47) IL1BSYKNLRP3KCNH2GABBR2
SCHEMBL29326561 0.77 IL1B (0.52) IL1BNLRP3KCNH2GABBR2GABBR1
SCHEMBL27182195 0.76 NLRP3 (0.55) IL1BTAS1R3TAS1R1TAS1R2NLRP3
SCHEMBL29326460 0.76 IL1B (0.44) IL1BNLRP3KCNH2
SCHEMBL29326647 0.76 IL1B (0.51) IL1BNLRP3KCNH2GABBR2GABBR1

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 IL1B 11/4885HDAC4 411/4885HDAC6 393/4885

“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.