SCHEMBL21555902

SCHEMBL21555902

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNC(=O)c4ccncc4)cc3)c(F)c2)C(O)O1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ROCK2 O75116 6/20 0.41
▸ CALML3 P27482 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ KDM1A O60341 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ F10 P00742 1/20 0.37

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
SCHEMBL1393630 0.84 CALML3 (0.59) CALML3MAOALMNAF10
SCHEMBL21555918 0.81 MAOA (0.39) CALML3MAOALMNAF10
SCHEMBL21555920 0.81 MAOA (0.40) ROCK2CALML3MAOALMNAF10
SCHEMBL21555917 0.81 MAOA (0.38) CALML3MAOALMNAF10
SCHEMBL11983279 0.81 CALML3 (0.59) CALML3MAOALMNAF10
SCHEMBL10259164 0.81 CALML3 (0.59) CALML3MAOALMNAF10
SCHEMBL21555906 0.81 MAOA (0.40) CALML3MAOAHDAC1LMNA
SCHEMBL18403006 0.80 ATM (0.39) CALML3MAOAALDH1A1LMNAF10
SCHEMBL21555919 0.79 MAOA (0.41) CALML3MAOALMNAF10
SCHEMBL18403016 0.79 MAOA (0.39) CALML3MAOALMNAF10

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 L3MBTL1 4859/4885ROCK2 2494/4885CALML3 4401/4885

“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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