SCHEMBL24953771

SCHEMBL24953771

CC(C)C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 2/20 0.57
GPER1 Q99527 2/20 0.56
ABL1 P00519 2/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CDK5 Q00535 1/20 0.48
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL24954074 0.91 MEN1 (0.62) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL24953677 0.83 GPER1 (0.50) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL24953818 0.82 POLB (0.69) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL24953968 0.81 MEN1 (0.66) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL24953777 0.81 MEN1 (0.72) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL16607175 0.79 GPER1 (0.55) MEN1KMT2AL3MBTL1MAPTGPER1
SCHEMBL12510323 0.78 GPER1 (0.53) POLBMEN1KMT2AMAPTGPER1
SCHEMBL16018762 0.76 GPER1 (0.41) GPER1ABL1KDM4ESMN1; SMN2
SCHEMBL21394793 0.76 GPER1 (0.51) MEN1KMT2AMAPTGPER1ABL1
SCHEMBL29354643 0.76 GPER1 (0.51) MEN1KMT2AMAPTGPER1ABL1

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 POLB 4455/4885MEN1 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.