SCHEMBL23745797

SCHEMBL23745797

Cc1cccc(C(CC(=O)NC2CCNCC2)c2cn(Cc3ccccc3)c3cnccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
KCNH2 Q12809 1/20 0.37
DYRK1A Q13627 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
CDK2 P24941 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
KHK P50053 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GRIN2B Q13224 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL23745786 0.90 CNR1 (0.44) ALDH1A1SMYD3MAPTDCUN1D1TP53
Hydrochloric Acid SCHEMBL23721982 0.90 CNR1 (0.44) ALDH1A1SMYD3MAPTDCUN1D1TP53
SCHEMBL23745676 0.88 ALDH1A1 (0.39) ALDH1A1KCNH2DYRK1ASMYD3CDK2
Hydrochloric Acid SCHEMBL23722185 0.88 ALDH1A1 (0.39) ALDH1A1KCNH2DYRK1ASMYD3CDK2
SCHEMBL23745447 0.85 SMYD3 (0.39) ALDH1A1SIGMAR1SMYD3DCUN1D1CNR1
SCHEMBL23745789 0.82 MAPT (0.40) SMYD3MAPTKHKTP53TSHR
Hydrochloric Acid SCHEMBL23721999 0.81 MAPT (0.40) SMYD3MAPTKHKTP53TSHR
SCHEMBL23745572 0.81 ICMT (0.41) ALDH1A1MAPTKHKCNR1
SCHEMBL23721915 0.81 CNR1 (0.44) ALDH1A1SMYD3MAPTDCUN1D1TP53
SCHEMBL23745803 0.81 CNR1 (0.44) ALDH1A1SMYD3MAPTDCUN1D1TP53

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 C3AR1 130/4885ALDH1A1 1197/4885SIGMAR1 1753/4885

“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.