SCHEMBL21555906

SCHEMBL21555906

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4cncn4)cc3)c(F)c2)C(O)O1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.40
▸ CYP19A1 P11511 3/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CALML3 P27482 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SDHA P31040 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ GRM2 Q14416 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
SCHEMBL14763641 0.84 MAOA (0.59) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1393857 0.84 MAOA (0.59) MAOACALML3MAOBLMNAPTGS1
SCHEMBL21555913 0.82 MAOA (0.39) MAOACALML3MAOBLMNAPTGS1
SCHEMBL18402993 0.81 MAOA (0.38) MAOACALML3MAOBLMNAPTGS1
SCHEMBL21555902 0.81 L3MBTL1 (0.41) MAOAHDAC1CALML3LMNA
SCHEMBL18403035 0.79 MAOA (0.41) MAOACALML3MAOBLMNAPTGS1
SCHEMBL21555918 0.78 MAOA (0.39) MAOACALML3MAOBLMNAPTGS1
SCHEMBL18402996 0.78 MAOA (0.42) MAOACALML3MAOBLMNAPTGS1
SCHEMBL21555909 0.77 MAOA (0.39) MAOACALML3MAOBLMNAPTGS1
SCHEMBL18403006 0.77 ATM (0.39) MAOACALML3MAOBLMNAPTGS1

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-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection MELINTA SUBSIDARY CORP. (US) 2019-11-12 — — 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-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection CUTA, CYP17A1, HSD17B11 MAOA 1569/4885CYP19A1 4/4885HDAC1 425/4885

“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.

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