SCHEMBL24952896

SCHEMBL24952896

CCN(CCO)C(=O)Nc1ncc(Cc2cccc(F)c2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.55
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 3/20 0.48
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ ABL1 P00519 4/20 0.46
▸ 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
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 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
SCHEMBL24953918 0.88 SCD (0.57) SCDLMNAMAPTKMT2AKDM4E
SCHEMBL24953674 0.86 MAPT (0.51) SCDLMNAMAPTKMT2AKDM4E
SCHEMBL24954027 0.86 MAPT (0.51) SCDLMNAMAPTKMT2AKDM4E
SCHEMBL24954265 0.86 MAPT (0.51) SCDLMNAMAPTKMT2AKDM4E
SCHEMBL24954079 0.80 SCD (0.53) SCDLMNAMAPTKMT2AKDM4E
SCHEMBL24952900 0.79 MAPT (0.49) SCDLMNAMAPTKMT2AKDM4E
SCHEMBL24952950 0.79 MAPT (0.53) SCDLMNAMAPTKMT2AKDM4E
SCHEMBL24952945 0.78 SCD (0.51) SCDLMNAMAPTKMT2AKDM4E
SCHEMBL24953812 0.78 MAPT (0.53) SCDLMNAMAPTKMT2AKDM4E
SCHEMBL24953662 0.78 SCD (0.51) SCDLMNAMAPTKMT2AKDM4E

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 4081/4885MAPT 3161/4885

“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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