SCHEMBL24952929

SCHEMBL24952929

C[C@@]1(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCOC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.46
▸ LMNA P02545 5/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ GPER1 Q99527 1/20 0.43
▸ PSEN1 P49768 4/20 0.43
▸ PSEN2 P49810 4/20 0.43
▸ APH1B Q8WW43 4/20 0.43
▸ NCSTN Q92542 4/20 0.43
▸ APH1A Q96BI3 4/20 0.43
▸ PSENEN Q9NZ42 4/20 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
SCHEMBL24952876 1.00 SCD (0.46) SCDLMNANPC1RAB9AMEN1
SCHEMBL24953957 1.00 SCD (0.46) SCDLMNANPC1RAB9AMEN1
SCHEMBL24953915 0.94 SCD (0.47) SCDLMNANPC1RAB9AMEN1
SCHEMBL24953825 0.91 SCD (0.48) SCDLMNANPC1RAB9AMEN1
SCHEMBL24953917 0.90 SCD (0.49) SCDLMNANPC1RAB9AMEN1
SCHEMBL24953971 0.90 SCD (0.49) SCDLMNANPC1RAB9AMEN1
SCHEMBL24953921 0.90 SCD (0.49) SCDLMNANPC1RAB9AMEN1
SCHEMBL24953740 0.84 NPC1 (0.58) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL24952880 0.84 SCD (0.51) SCDLMNANPC1RAB9AMEN1
SCHEMBL24846105 0.83 GLS (0.44) LMNAMEN1KMT2AALDH1A1MAPT

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 4081/4885NPC1 575/4885

“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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