SCHEMBL24952925

SCHEMBL24952925

CC1(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)CCC(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.48
▸ LMNA P02545 5/20 0.47
▸ RAB9A P51151 7/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GPER1 Q99527 1/20 0.44
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ ABL1 P00519 4/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL29799757 0.84 SCD (0.49) SCDLMNARAB9AKMT2ANPC1
SCHEMBL24953540 0.84 SCD (0.49) SCDLMNARAB9AKMT2ANPC1
SCHEMBL24953913 0.81 SCD (0.53) SCDLMNARAB9AKMT2ANPC1
SCHEMBL24952933 0.81 SCD (0.52) SCDLMNARAB9AKMT2ANPC1
SCHEMBL24952880 0.81 SCD (0.51) SCDLMNARAB9AKMT2ANPC1
SCHEMBL24953765 0.80 SCD (0.50) SCDLMNARAB9AKMT2ANPC1
SCHEMBL24953921 0.79 SCD (0.49) SCDLMNARAB9AKMT2ANPC1
SCHEMBL24953971 0.79 SCD (0.49) SCDLMNARAB9AKMT2ANPC1
SCHEMBL24953917 0.79 SCD (0.49) SCDLMNARAB9AKMT2ANPC1
SCHEMBL24953526 0.79 SCD (0.50) SCDLMNARAB9AKMT2ANPC1

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 SCD 2396/4885LMNA 4081/4885RAB9A 1759/4885

“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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