SCHEMBL25802416

SCHEMBL25802416

O=C(Nc1ccc(CN2CCOCC2)c(F)c1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
CYP2A13 Q16696 1/20 0.49
EPHX2 P34913 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 4/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 1/20 0.46
RAD51 Q06609 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MOK Q9UQ07 1/20 0.44

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
SCHEMBL25802440 0.87 GAA (0.57) ALDH1A1MAPTSMN1; SMN2GAAKMT2A
SCHEMBL29739220 0.86 CNR2 (0.49) ALDH1A1MAPTCYP2A13EPHX2L3MBTL1
SCHEMBL29958947 0.86 ABL1 (0.51) ALDH1A1MAPTEPHX2HPGDGAA
SCHEMBL25802425 0.86 ABL1 (0.51) ALDH1A1MAPTEPHX2HPGDGAA
SCHEMBL31125143 0.82 ALDH1A1 (0.47) ALDH1A1MAPTEPHX2NPC1RAB9A
SCHEMBL13263349 0.81 NPC1 (0.62) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL23213639 0.80 CNR2 (0.59) ALDH1A1MAPTCYP2A13NPC1RAB9A
SCHEMBL29716283 0.80 CNR2 (0.59) ALDH1A1MAPTCYP2A13NPC1RAB9A
SCHEMBL29739530 0.79 CNR2 (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12982572 0.79 RAD51 (0.55) ALDH1A1MAPTNPC1RAB9ATP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250177382-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2025-06-05 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
WO-2022226182-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-27 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 (2 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 ALDH1A1 4542/4885MAPT 436/4885CYP2A13 4677/4885
US-20250177382-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 ALDH1A1 3958/4885MAPT 1309/4885CYP2A13 2979/4885

“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.