SCHEMBL4754240

SCHEMBL4754240

O=C(O)N1CCN(Cc2cccnc2Br)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 8/20 0.50
LMNA P02545 1/20 0.50
FAAH O00519 3/20 0.47
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
APP P05067 3/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
MPI P34949 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FABP6 P51161 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL30476359 0.81 POLB (0.53) KDM4EALDH1A1KMT2AMAPTMPI
SCHEMBL4752726 0.81 POLB (0.53) KDM4EALDH1A1KMT2AMAPTMPI
SCHEMBL25233763 0.81 APP (0.44) KDM4EALDH1A1LMNAFAAHAPP
SCHEMBL1725052 0.80 CYP11B1 (0.53) KDM4EALDH1A1LMNACYP11B1CYP11B2
SCHEMBL25232053 0.80 APP (0.43) KDM4EALDH1A1LMNAFAAHAPP
SCHEMBL5256033 0.79 KMT2A (0.54) KDM4EALDH1A1LMNACYP11B1CYP11B2
SCHEMBL5254250 0.79 METAP2 (0.50) KDM4EALDH1A1CYP11B1CYP11B2MAPT
SCHEMBL25239622 0.79 ALDH1A1 (0.43) KDM4EALDH1A1LMNAFAAHAPP
SCHEMBL12741244 0.79 KDM4E (0.55) KDM4EALDH1A1LMNACYP11B1CYP11B2
SCHEMBL25279669 0.78 KDM4E (0.46) KDM4EALDH1A1LMNAAPPKMT2A

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-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 US disclosed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 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-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF PDXK, ATP6V1B1, REN KDM4E 3899/4885ALDH1A1 649/4885LMNA 715/4885

“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.