SCHEMBL24846091

SCHEMBL24846091

CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ DGAT1 O75907 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GLS O94925 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL24846120 0.91 GAA (0.41) SMN1; SMN2GAAMAPTXBP1NPSR1
SCHEMBL24846064 0.90 KMT2A (0.47) SMN1; SMN2GAAMAPTXBP1NPSR1
SCHEMBL24846681 0.87 SMN1; SMN2 (0.42) SMN1; SMN2GAAMAPTXBP1NPSR1
SCHEMBL24846671 0.84 DGAT1 (0.40) SMN1; SMN2GAAMAPTXBP1NPSR1
SCHEMBL24846112 0.81 KMT2A (0.37) SMN1; SMN2GAAMAPTXBP1NPSR1
SCHEMBL24846114 0.79 KMT2A (0.48) DGAT1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL24846661 0.79 L3MBTL1 (0.39) SMN1; SMN2MAPTKMT2ACYP1A2CYP2C9
SCHEMBL24846672 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MAPTKMT2ACYP1A2CYP2C9
SCHEMBL24846115 0.78 GLS (0.49) GAAKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL24846717 0.78 CFTR (0.45) SMN1; SMN2GAAKMT2AMEN1ATM

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-20230002336-A1 MrgprX2 Antagonists and Uses Thereof DERMIRA, INC. 2023-01-05 — — 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-20230002336-A1 MrgprX2 Antagonists and Uses Thereof MRGPRX2, MRGPRX1, MRGPRX4 SMN1; SMN2 4282/4885GAA 709/4885MAPT 4012/4885

“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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