SCHEMBL24846680

SCHEMBL24846680

CN(C[C@@H](O)C(F)(F)F)C(=O)Nc1nnc(Cc2cc(F)cc(Cl)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DGAT1 O75907 1/20 0.37
▸ KMT2A Q03164 7/20 0.36
▸ MEN1 O00255 6/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ GPR52 Q9Y2T5 1/20 0.35
▸ CFTR P13569 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
SCHEMBL24846661 0.94 L3MBTL1 (0.39) SMN1; SMN2MAPTL3MBTL1KMT2AMEN1
SCHEMBL24846554 0.93 DGAT1 (0.41) MAPTDGAT1KMT2AMEN1TSHR
SCHEMBL24846068 0.93 DGAT1 (0.41) MAPTDGAT1KMT2AMEN1TSHR
SCHEMBL24846681 0.89 SMN1; SMN2 (0.42) SMN1; SMN2GAAMAPTXBP1NPSR1
SCHEMBL24846664 0.83 L3MBTL1 (0.37) SMN1; SMN2L3MBTL1DGAT1KMT2AMEN1
SCHEMBL24846665 0.83 L3MBTL1 (0.37) SMN1; SMN2L3MBTL1DGAT1KMT2AMEN1
SCHEMBL24846120 0.83 GAA (0.41) SMN1; SMN2GAAMAPTXBP1NPSR1
SCHEMBL24846062 0.82 DGAT1 (0.43) MAPTDGAT1KMT2AMEN1TSHR
SCHEMBL24846089 0.82 DGAT1 (0.43) MAPTDGAT1KMT2AMEN1TSHR
SCHEMBL24846671 0.82 DGAT1 (0.40) SMN1; SMN2GAAMAPTXBP1NPSR1

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-20230002336-A1 MrgprX2 Antagonists and Uses Thereof DERMIRA, INC. 2023-01-05 — — 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-20230002336-A1 MrgprX2 Antagonists and Uses Thereof MRGPRX2, MRGPRX1, MRGPRX4 SMN1; SMN2 4282/4885GAA 709/4885MAPT 4012/4885

“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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