SCHEMBL24953932

SCHEMBL24953932

C[C@@H](O)CN(C)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.47
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ 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 0.44
▸ MAPT P10636 2/20 0.43
▸ PSEN1 P49768 6/20 0.43
▸ PSEN2 P49810 6/20 0.43
▸ APH1B Q8WW43 6/20 0.43
▸ NCSTN Q92542 6/20 0.43
▸ APH1A Q96BI3 6/20 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
SCHEMBL24953830 1.00 SCD (0.47) SCDMEN1KMT2ALMNAKDM4E
SCHEMBL24953789 0.90 MAPT (0.53) SCDMEN1KMT2ALMNAKDM4E
SCHEMBL24953812 0.90 MAPT (0.53) SCDMEN1KMT2ALMNAKDM4E
SCHEMBL24952951 0.89 MEN1 (0.57) MEN1KMT2ALMNAKDM4ENPC1
SCHEMBL24954084 0.86 SCD (0.50) SCDMEN1KMT2ALMNAKDM4E
SCHEMBL24953677 0.83 GPER1 (0.50) MEN1KMT2ALMNAKDM4ENPC1
SCHEMBL24954089 0.83 MEN1 (0.43) SCDMEN1KMT2ALMNAKDM4E
SCHEMBL24952950 0.82 MAPT (0.53) SCDMEN1KMT2ALMNAKDM4E
SCHEMBL24846062 0.81 DGAT1 (0.43) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL24953968 0.80 MEN1 (0.66) SCDMEN1KMT2ALMNAKDM4E

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 2396/4885MEN1 3075/4885KMT2A 3739/4885

“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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