SCHEMBL29326688

SCHEMBL29326688

Cc1nc(NCC2CCCCO2)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.48
KCNH2 Q12809 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
IL1B P01584 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 5/20 0.42
TSHR P16473 4/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TNF P01375 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TNK2 Q07912 1/20 0.38
GAA P10253 3/20 0.38

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
SCHEMBL29326412 0.97 NLRP3 (0.48) NLRP3KCNH2MEN1KMT2AIL1B
SCHEMBL29155893 0.86 NLRP3 (0.47) NLRP3KCNH2IL1BTNF
SCHEMBL29975213 0.86 NLRP3 (0.47) NLRP3KCNH2IL1BTNF
SCHEMBL29975535 0.86 NLRP3 (0.47) NLRP3KCNH2IL1BTNF
SCHEMBL29326670 0.84 NLRP3 (0.54) NLRP3KCNH2IL1BTNF
SCHEMBL27182186 0.82 NLRP3 (0.43) NLRP3KCNH2IL1BTNF
SCHEMBL30488495 0.80 TNK2 (0.41) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL29030601 0.80 TNK2 (0.41) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL30488545 0.80 TNK2 (0.41) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL29326810 0.80 IL1B (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 2120/4885MEN1 4346/4885

“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.