SCHEMBL23745574

SCHEMBL23745574

Cc1cccc(C(CC(=O)NCCC2CCNCC2)c2cn(CC3CC3)c3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CNR1 P21554 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
CHRM1 P11229 1/20 0.35
HTR4 Q13639 1/20 0.35
POLB P06746 1/20 0.35
ROCK2 O75116 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 SCHEMBL23721873 0.99 ICMT (0.39) ICMTITGB3ITGA2BMGAMGAA
SCHEMBL23745824 0.96 CNR1 (0.42) ICMTITGB3ITGA2BMGAMGAA
Hydrochloric Acid SCHEMBL23722072 0.95 CNR1 (0.42) ICMTITGB3ITGA2BMGAMGAA
SCHEMBL23745526 0.93 ITGB3 (0.38) ITGB3ITGA2BMGAMGAASI
Hydrochloric Acid SCHEMBL23722050 0.92 ITGB3 (0.38) ITGB3ITGA2BMGAMGAASI
SCHEMBL23745452 0.91 BCHE (0.42) ICMTITGB3ITGA2BBCHEACHE
Hydrochloric Acid SCHEMBL22439438 0.91 BCHE (0.42) ICMTITGB3ITGA2BBCHEACHE
SCHEMBL23745794 0.91 MAPT (0.40) ITGB3ITGA2BMGAMGAASI
Hydrochloric Acid SCHEMBL23721864 0.90 MAPT (0.40) ITGB3ITGA2BMGAMGAASI
SCHEMBL23745572 0.88 ICMT (0.41) ICMTMGAMGAASIMGAM2

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 345/4885ITGB3 1062/4885ITGA2B 1685/4885

“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.