SCHEMBL23745774

SCHEMBL23745774

Cc1cccc(C(CC(=O)N[C@H]2CC[C@H](N)CC2)c2cn(Cc3ccccc3)c3ncccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.42
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
F10 P00742 2/20 0.38
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
ATM Q13315 1/20 0.37
GRIN2B Q13224 1/20 0.36
SIGMAR1 Q99720 1/20 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
SCHEMBL23745525 1.00 SMYD3 (0.42) SMYD3PDE4BPDE4DCNR1CNR2
Hydrochloric Acid SCHEMBL23722075 0.99 SMYD3 (0.41) SMYD3PDE4BPDE4DCNR1CNR2
Hydrochloric Acid SCHEMBL23722115 0.99 SMYD3 (0.41) SMYD3PDE4BPDE4DCNR1CNR2
SCHEMBL23745530 0.92 CNR1 (0.45) CNR1CNR2ALDH1A1HPGDATM
SCHEMBL23745447 0.91 SMYD3 (0.39) SMYD3PDE4BPDE4DCNR1CNR2
SCHEMBL23745803 0.88 CNR1 (0.44) SMYD3CNR1CNR2ALDH1A1DCUN1D1
SCHEMBL23745640 0.88 CNR1 (0.44) SMYD3CNR1CNR2ALDH1A1DCUN1D1
SCHEMBL23721915 0.88 CNR1 (0.44) SMYD3CNR1CNR2ALDH1A1DCUN1D1
Hydrochloric Acid SCHEMBL23721944 0.87 CNR1 (0.44) SMYD3CNR1CNR2ALDH1A1DCUN1D1
SCHEMBL23745466 0.81 ALDH1A1 (0.39) SMYD3CNR1CNR2ALDH1A1KDM4E

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 3773/4885PDE4B 3051/4885PDE4D 3552/4885

“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.