SCHEMBL23745447

SCHEMBL23745447

Cc1cccc(C(CC(=O)NC2CCNCC2)c2cn(Cc3ccccc3)c3ncccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX12 P18054 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
F10 P00742 2/20 0.36

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
SCHEMBL23745530 0.92 CNR1 (0.45) CNR1CNR2ALDH1A1HPGD
SCHEMBL23745525 0.91 SMYD3 (0.42) SMYD3CNR1CNR2PDE4BPDE4D
SCHEMBL23745774 0.91 SMYD3 (0.42) SMYD3CNR1CNR2PDE4BPDE4D
Hydrochloric Acid SCHEMBL23722115 0.90 SMYD3 (0.41) SMYD3CNR1CNR2PDE4BPDE4D
Hydrochloric Acid SCHEMBL23722075 0.90 SMYD3 (0.41) SMYD3CNR1CNR2PDE4BPDE4D
SCHEMBL23745466 0.89 ALDH1A1 (0.39) SMYD3CNR1CNR2ALDH1A1KDM4E
SCHEMBL23745500 0.88 CHRM4 (0.38) SMYD3CNR1CNR2ALDH1A1KDM4E
SCHEMBL23745786 0.88 CNR1 (0.44) SMYD3CNR1CNR2ALDH1A1DCUN1D1
Hydrochloric Acid SCHEMBL23721878 0.87 CHRM4 (0.38) SMYD3CNR1CNR2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL23721982 0.87 CNR1 (0.44) SMYD3CNR1CNR2ALDH1A1DCUN1D1

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 3773/4885CNR1 1651/4885CNR2 2528/4885

“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.