SCHEMBL23745772

SCHEMBL23745772

Cc1cccc(C(CC(=O)NCC2CCC(CN)CC2)c2cn(CC3CCCCC3)c3ccc(Br)cc23)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.41
NPC1 O15118 1/20 0.41
CNR1 P21554 5/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 2/20 0.36
BCHE P06276 3/20 0.35
CYP2D6 P10635 1/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
KCNH2 Q12809 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
ABCC2 Q92887 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK8 P45983 1/20 0.34

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
SCHEMBL23745829 0.94 ICMT (0.41) ICMTNPC1CNR1MEN1KMT2A
SCHEMBL23745586 0.91 ICMT (0.41) ICMTCNR1KMT2ACNR2ABCC2
SCHEMBL23745701 0.91 CNR1 (0.43) ICMTNPC1CNR1BCHECYP2D6
SCHEMBL23745698 0.91 CNR1 (0.43) ICMTNPC1CNR1BCHECYP2D6
SCHEMBL23745893 0.86 IDO1 (0.45) ICMTNPC1CNR1MEN1KMT2A
SCHEMBL23722118 0.85 IDO1 (0.42) ICMTCNR1KMT2ACNR2ABCC2
SCHEMBL23745791 0.85 CNR1 (0.43) ICMTNPC1CNR1MEN1KMT2A
SCHEMBL23745792 0.85 CNR1 (0.43) ICMTNPC1CNR1MEN1KMT2A
SCHEMBL23745695 0.84 IDO1 (0.40) ICMTCNR1KMT2ACNR2ABCC2
Hydrochloric Acid SCHEMBL23721844 0.84 IDO1 (0.40) ICMTCNR1KMT2ACNR2ABCC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 ICMT 345/4885NPC1 564/4885CNR1 1651/4885

“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.