SCHEMBL24953889

SCHEMBL24953889

CC1(C(=O)Nc2ncc(Cc3cc(F)ccc3F)s2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ ABL1 P00519 2/20 0.42
▸ GPER1 Q99527 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ SCD O00767 2/20 0.40
▸ ATM Q13315 1/20 0.39
▸ BACE1 P56817 2/20 0.39

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
SCHEMBL29799577 1.00 LMNA (0.44) LMNAKMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL24953656 0.90 MEN1 (0.45) LMNAKMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL24953821 0.88 ABL1 (0.56) LMNAKMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL24953740 0.86 NPC1 (0.58) LMNAKMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL24953800 0.86 LMNA (0.51) LMNAKMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL24953657 0.84 ABL1 (0.47) LMNAKMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL24952880 0.84 SCD (0.51) LMNAKMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL24953915 0.83 SCD (0.47) LMNAKMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL24953525 0.82 ABL1 (0.54) LMNAKMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL24954074 0.79 MEN1 (0.62) LMNAKMT2ASMN1; SMN2MEN1KDM4E

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 2 patents. 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
CN-114845709-A MRGPRX2 antagonists for use in treating inflammatory disorders 德米拉公司 2022-08-02 — — CN 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 LMNA 4081/4885KMT2A 3739/4885SMN1; SMN2 3817/4885

“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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