SCHEMBL25802463

SCHEMBL25802463

CN1CCN(c2cc(NC(=O)Oc3ccccc3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
KDR P35968 3/20 0.49
FLT1 P17948 1/20 0.49
FLT3 P36888 1/20 0.49
CSF1R P07333 1/20 0.48
LYN P07948 1/20 0.48
KIT P10721 1/20 0.48
MAP3K7 O43318 2/20 0.47
MAP4K2 Q12851 2/20 0.47
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
DDR1 Q08345 1/20 0.46
DDR2 Q16832 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL29959088 1.00 GAA (0.66) GAANPSR1KMT2AMAPTALDH1A1
SCHEMBL16907470 0.90 MAPT (0.52) GAANPSR1KMT2AMAPTALDH1A1
SCHEMBL16895178 0.88 GAA (0.50) GAANPSR1KMT2AMAPTALDH1A1
SCHEMBL16907564 0.87 MAPT (0.49) GAANPSR1KMT2AMAPTALDH1A1
SCHEMBL16907437 0.87 GAA (0.58) GAANPSR1KMT2AMAPTALDH1A1
SCHEMBL16907500 0.83 BRAF (0.46) GAANPSR1KMT2AMAPTALDH1A1
SCHEMBL1927027 0.82 CSF1R (0.55) KMT2AFLT3CSF1RLYNKIT
SCHEMBL16895227 0.82 DDR1 (0.58) GAANPSR1MAPTKDRKIT
SCHEMBL4929590 0.82 CSF1R (0.48) GAANPSR1KMT2AMAPTCSF1R
SCHEMBL16907379 0.81 BRAF (0.52) GAANPSR1KMT2AMAPTALDH1A1

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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 GAA 3968/4885NPSR1 3866/4885KMT2A 4530/4885

“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.