SCHEMBL22019961

SCHEMBL22019961

CC(C)(C)c1c2c(nc(C(F)(F)F)c1-c1ccccc1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA2A P29274 1/20 0.41
ACHE P22303 4/20 0.41
FPR1 P21462 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ENPP1 P22413 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL24977979 0.84 MAPK1 (0.39) LMNAMAPK1HSD17B10SMN1; SMN2KDM4E
SCHEMBL22019724 0.83 MAPK1 (0.54) LMNAMAPK1HSD17B10SMN1; SMN2KDM4E
SCHEMBL24977965 0.82 MAPK1 (0.49) LMNAMAPK1HSD17B10SMN1; SMN2KDM4E
SCHEMBL30162655 0.81 ACHE (0.54) LMNAMAPK1HSD17B10SMN1; SMN2KDM4E
SCHEMBL22020129 0.81 ACHE (0.54) LMNAMAPK1HSD17B10SMN1; SMN2KDM4E
SCHEMBL24978509 0.80 LMNA (0.48) LMNAMAPK1HSD17B10SMN1; SMN2KDM4E
SCHEMBL24977966 0.75 SMN1; SMN2 (0.42) LMNAMAPK1HSD17B10SMN1; SMN2KDM4E
SCHEMBL24978541 0.71 SMN1; SMN2 (0.39) LMNAMAPK1HSD17B10SMN1; SMN2KDM4E
SCHEMBL18060190 0.71 KDM4E (0.64) MAPK1HSD17B10SMN1; SMN2KDM4EALDH1A1
SCHEMBL13389335 0.71 ACHE (0.59) LMNAMAPK1HSD17B10KDM4EALDH1A1

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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 LMNA 1699/4885MAPK1 1647/4885HSD17B10 1086/4885

“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.