SCHEMBL25976235

SCHEMBL25976235

CC(=N)CC(=O)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
NAPRT Q6XQN6 1/20 0.57
HSD17B10 Q99714 1/20 0.57
EPHX2 P34913 2/20 0.55
KDM1A O60341 1/20 0.55
GAA P10253 1/20 0.55
SCN1A P35498 1/20 0.55
SCN2A Q99250 1/20 0.55
SCN3A Q9NY46 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51

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
SCHEMBL20401753 0.84 SMN1; SMN2 (0.57) MAPTNAPRTHSD17B10GAAL3MBTL1
SCHEMBL9121361 0.83 MAPT (0.85) MAPTNAPRTHSD17B10EPHX2KDM1A
SCHEMBL14914 0.83 MAPT (0.85) MAPTNAPRTHSD17B10EPHX2KDM1A
SCHEMBL3021545 0.83 MAPT (0.67) MAPTNAPRTHSD17B10EPHX2KDM1A
SCHEMBL1689206 0.83 EPHX2 (0.68) MAPTEPHX2KDM1AGAASCN1A
SCHEMBL19659854 0.82 POLB (0.74) GAAHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL587369 0.82 MAPT (0.82) MAPTNAPRTHSD17B10EPHX2KDM1A
SCHEMBL28996270 0.82 MAPT (0.82) MAPTNAPRTHSD17B10EPHX2KDM1A
SCHEMBL3074308 0.82 EPHX2 (0.57) MAPTEPHX2KDM1AGAASCN1A
Hydrochloric Acid SCHEMBL28406796 0.82 MAPT (0.82) MAPTNAPRTHSD17B10EPHX2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024103151-A1 1H-PYRAZOLE ANALOGUES AND METHODS AND USES THEREOF UNIVERSITY OF MANITOBA (CA) 2024-05-23 WO disclosed
US-20230255970-A1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATIVE DISEASES THE BROAD INSTITUTE, INC. (US) 2023-08-17 US disclosed
US-20230255970-A1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATIVE DISEASES THE BROAD INSTITUTE, INC. (US) 2023-08-17 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-20230255970-A1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATIVE DISEASES YAP1, RELA, NFKBIA MAPT 1438/4885NAPRT 2648/4885HSD17B10 1385/4885

“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.