SCHEMBL5653476

SCHEMBL5653476

NC(=O)c1cccn1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAP3K14 Q99558 1/20 0.43
KDM4E B2RXH2 2/20 0.41
PARP1 P09874 10/20 0.39
TSHR P16473 3/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RECQL P46063 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
SCN4A P35499 1/20 0.32

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
SCHEMBL4904690 0.84 TDP1 (0.43) LMNAMAP3K14KDM4EPARP1TSHR
SCHEMBL28151189 0.83 PARP1 (0.37) LMNAMAP3K14KDM4EPARP1BCHE
SCHEMBL30034979 0.83 NOTUM (0.41) LMNAMAP3K14KDM4EPARP1TSHR
SCHEMBL30034849 0.79 LMNA (0.39) LMNAMAP3K14KDM4EPARP1TSHR
SCHEMBL22528183 0.79 LMNA (0.42) LMNAMAP3K14KDM4EPARP1TSHR
SCHEMBL19691122 0.78 LMNA (0.41) LMNAMAP3K14KDM4EPARP1TSHR
SCHEMBL6343183 0.78 MAPT (0.40) LMNAKDM4ETSHRMAPTTDP1
SCHEMBL27873870 0.78 LMNA (0.45) LMNAMAP3K14KDM4EPARP1TSHR
SCHEMBL1269750 0.74
SCHEMBL162640 0.74

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
WO-2023159148-A2 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
US-20070191349-A1 C8, c8' linked 5-oxo-1,2,3,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4] benzodiazepine dimers with 1h-pyrrole-dicarboxylic acid amide linkers and oligomeric analogs therof as well as related compounds for the treatment of proliferative diseases SPIROGEN LIMITED (GB) 2007-08-16 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-20070191349-A1 C8, c8' linked 5-oxo-1,2,3,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4] benzodiazepine dimers with 1h-pyrrole-dicarboxylic acid amide linkers and oligomeric analogs therof as well as related compounds for the treatment of proliferative diseases TSPO, GABRD, BCOR LMNA 152/4885MAP3K14 4752/4885KDM4E 3095/4885

“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.