SCHEMBL29326775

SCHEMBL29326775

C[C@]1(O)C[C@@H](Nc2nnc(-c3ccc(Cl)cc3O)c(C3CC3)n2)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL1B P01584 10/20 0.61
TNF P01375 2/20 0.43
NLRP3 Q96P20 4/20 0.41
HPGDS O60760 2/20 0.36
SLC6A3 Q01959 1/20 0.35
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ARF6 P62330 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL29326766 0.88 IL1B (0.48) IL1BTNFNLRP3HPGDS
SCHEMBL29326525 0.86 IL1B (0.67) IL1BTNFNLRP3CNR1CNR2
SCHEMBL26434594 0.86 IL1B (0.67) IL1BTNFNLRP3CNR1CNR2
SCHEMBL29326722 0.85 IL1B (0.63) IL1BTNFNLRP3
SCHEMBL29974860 0.85 IL1B (0.63) IL1BTNFNLRP3
SCHEMBL29326781 0.82 IL1B (0.43) IL1BNLRP3SLC6A3CNR1CNR2
SCHEMBL29326772 0.82 IL1B (0.65) IL1BTNFNLRP3PIM1PIM2
SCHEMBL29326622 0.77 IL1B (0.48) IL1BTNFNLRP3HPGDS
SCHEMBL29326752 0.77 KCNH2 (0.44) IL1BNLRP3CNR1CNR2
SCHEMBL29326790 0.76 HPGDS (0.38) IL1BNLRP3HPGDSSLC6A3ARF6

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 11/4885TNF 67/4885NLRP3 1/4885

“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.