SCHEMBL24953922

SCHEMBL24953922

C[C@H](O)CN(C)C(=O)Nc1ncc(Oc2ccc(C#N)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.41
▸ MMP2 P08253 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ IL18 Q14116 1/20 0.38
▸ MMP3 P08254 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ MAOB P27338 1/20 0.36

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
SCHEMBL24952895 0.89 JAK2 (0.40) SCN9AJAK2JAK1JAK3
SCHEMBL24954557 0.89 CYP3A4 (0.35) SCN9A
SCHEMBL24953926 0.88 TRPM8 (0.38) SCN9AMMP2ALDH1A1HPGDATG4B
SCHEMBL28854659 0.88 TRPM8 (0.38) SCN9AMMP2ALDH1A1HPGDATG4B
SCHEMBL24953654 0.88 TRPM8 (0.38) SCN9AMMP2ALDH1A1HPGDATG4B
SCHEMBL24954141 0.87 GCK (0.36) —
SCHEMBL24953827 0.86 GCK (0.45) ALDH1A1HPGDATG4BKDM4EMEN1
SCHEMBL24953760 0.86 CCNE1 (0.45) ALDH1A1MEN1LMNAMAPTRAB9A
SCHEMBL24953806 0.86 CCNE1 (0.45) ALDH1A1MEN1LMNAMAPTRAB9A
SCHEMBL24953870 0.86 GCK (0.36) SCN9AATG4B

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 SCN9A 1107/4885MMP2 1933/4885ALDH1A1 3145/4885

“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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