SCHEMBL24953789

SCHEMBL24953789

C[C@@H](O)CN(C)C(=O)Nc1ncc(Cc2cccc(F)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ SCD O00767 5/20 0.51
▸ LMNA P02545 3/20 0.50
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ABL1 P00519 4/20 0.48
▸ CYP1A2 P05177 2/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL24953812 1.00 MAPT (0.53) MAPTSCDLMNAKMT2AMEN1
SCHEMBL24952950 0.93 MAPT (0.53) MAPTSCDLMNAKMT2AMEN1
SCHEMBL24952945 0.90 SCD (0.51) MAPTSCDLMNAKMT2AMEN1
SCHEMBL24953830 0.90 SCD (0.47) MAPTSCDLMNAKMT2AMEN1
SCHEMBL24953932 0.90 SCD (0.47) MAPTSCDLMNAKMT2AMEN1
SCHEMBL24952949 0.89 SCD (0.49) MAPTSCDLMNAKMT2AMEN1
SCHEMBL24953492 0.89 SCD (0.49) MAPTSCDLMNAKMT2AMEN1
SCHEMBL24952891 0.89 SCD (0.49) MAPTSCDLMNAKMT2AMEN1
SCHEMBL24953674 0.88 MAPT (0.51) MAPTSCDLMNAKMT2AMEN1
SCHEMBL24953697 0.88 MAPT (0.69) MAPTSCDLMNAKMT2AMEN1

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-20230029266-A1 MrgprX2 Antagonists for the Treatment of Inflammatory Disorders DERMIRA, INC. 2023-01-26 — — 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-20230029266-A1 MrgprX2 Antagonists for the Treatment of Inflammatory Disorders MRGPRX2, MRGPRX1, MRGPRX4 MAPT 3161/4885SCD 2396/4885LMNA 4081/4885

“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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