SCHEMBL24952951

SCHEMBL24952951

C[C@H](O)CN(C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ KDM4E B2RXH2 6/20 0.57
▸ NPC1 O15118 6/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ LMNA P02545 5/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ NFKB1 P19838 3/20 0.57
▸ NFKB2 Q00653 3/20 0.57
▸ RELA Q04206 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ ABL1 P00519 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ GPER1 Q99527 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ GAA P10253 2/20 0.46
▸ TP53 P04637 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ FFAR2 O15552 1/20 0.44

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
SCHEMBL24953932 0.89 SCD (0.47) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL24953830 0.89 SCD (0.47) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL24954084 0.89 SCD (0.50) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL24953812 0.88 MAPT (0.53) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL24953789 0.88 MAPT (0.53) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL24952893 0.86 MEN1 (0.49) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL24953677 0.85 GPER1 (0.50) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL24954089 0.85 MEN1 (0.43) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL24953866 0.84 MAPT (0.43) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL24953645 0.83 ABL1 (0.56) MEN1KMT2AKDM4ENPC1RAB9A

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 MEN1 3075/4885KMT2A 3739/4885KDM4E 3733/4885

“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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