SCHEMBL24846105

SCHEMBL24846105

CC1(C(=O)Nc2nnc(Cc3cc(F)cc(F)c3)s2)CCOC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 3/20 0.44
▸ DGAT1 O75907 1/20 0.43
▸ MME P08473 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL24846662 0.94 GLS (0.46) GLSDGAT1MMEBRD4POLB
SCHEMBL24953957 0.83 SCD (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL24952929 0.83 SCD (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL24952876 0.83 SCD (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL24953915 0.77 SCD (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL24953917 0.74 SCD (0.49) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL24953921 0.74 SCD (0.49) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL24953971 0.74 SCD (0.49) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL24953825 0.74 SCD (0.48) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL24846063 0.73 TSHR (0.61) GLSDGAT1POLBMEN1KMT2A

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 GLS 1237/4885DGAT1 811/4885MME 1939/4885

“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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