SCHEMBL23168043

SCHEMBL23168043

N#Cc1cc(N)cnc1N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.50
ALDH1A1 P00352 7/20 0.46
CASP1 P29466 7/20 0.46
CASP7 P55210 7/20 0.46
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 5/20 0.46
TSHR P16473 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
PKM P14618 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 6/20 0.44
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 3/20 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
SCHEMBL30152422 1.00 CNR2 (0.50) CNR2ALDH1A1CASP1CASP7KDM4E
SCHEMBL22279004 0.98 CNR2 (0.52) CNR2ALDH1A1CASP1CASP7KDM4E
SCHEMBL14923786 0.86 ALDH1A1 (0.51) ALDH1A1CASP1CASP7KDM4EHSD17B10
SCHEMBL30852648 0.86 KDM4E (0.49) ALDH1A1CASP1KDM4ETSHRMEN1
SCHEMBL30852546 0.86 ALDH1A1 (0.51) ALDH1A1CASP1CASP7KDM4EHSD17B10
SCHEMBL23167572 0.85 ALDH1A1 (0.55) CNR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23612005 0.83 LRRK2 (0.40) CNR2ALDH1A1CASP1CASP7KDM4E
SCHEMBL16245768 0.83 ALDH1A1 (0.51) CNR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16467175 0.83 ALDH1A1 (0.47) CNR2ALDH1A1CASP1CASP7KDM4E
SCHEMBL16334287 0.82 DRD2 (0.55) CNR2ALDH1A1KDM4EHSD17B10TSHR

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-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-26 US disclosed
US-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-26 US disclosed
WO-2021067805-A1 OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 WO disclosed
WO-2021067805-A1 OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 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-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CNR2 1710/4885ALDH1A1 4654/4885CASP1 171/4885

“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.