SCHEMBL23745790

SCHEMBL23745790

Cc1cccc(C(CC(=O)NCCC2CCNCC2)c2cn(Cc3ccccc3)c3ncncc23)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.36
CHRM4 P08173 4/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 1/20 0.36
BRD4 O60885 2/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
LMNA P02545 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAOB P27338 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
Hydrochloric Acid SCHEMBL23722165 0.99 SMYD3 (0.36) SMYD3CHRM4BCHEACHEALDH1A1
SCHEMBL23745500 0.90 CHRM4 (0.38) SMYD3CHRM4BCHEACHEALDH1A1
Hydrochloric Acid SCHEMBL23721878 0.89 CHRM4 (0.38) SMYD3CHRM4BCHEACHEALDH1A1
SCHEMBL23745676 0.86 ALDH1A1 (0.39) SMYD3CHRM4BCHEACHEALDH1A1
SCHEMBL23745452 0.86 BCHE (0.42) BCHEACHEALDH1A1BRD4ITGB3
Hydrochloric Acid SCHEMBL23722185 0.86 ALDH1A1 (0.39) SMYD3CHRM4BCHEACHEALDH1A1
Hydrochloric Acid SCHEMBL22439438 0.85 BCHE (0.42) BCHEACHEALDH1A1BRD4ITGB3
SCHEMBL23745494 0.83 CHRM4 (0.38) SMYD3CHRM4BCHEACHEALDH1A1
SCHEMBL23745466 0.82 ALDH1A1 (0.39) SMYD3BCHEACHEALDH1A1BRD4
Hydrochloric Acid SCHEMBL23722164 0.82 CHRM4 (0.38) SMYD3CHRM4BCHEACHEALDH1A1

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 SMYD3 3773/4885CHRM4 4061/4885BCHE 953/4885

“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.