SCHEMBL24846109

SCHEMBL24846109

CN(CC(C)(C)O)C(=O)Nc1nnc(Cc2cc(Cl)cc(Cl)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL24846646 0.87 DGAT1 (0.43) TSHRKMT2AMEN1POLBNPC1
SCHEMBL24846665 0.84 L3MBTL1 (0.37) TSHRL3MBTL1SMN1; SMN2SIRT2KMT2A
SCHEMBL24846664 0.84 L3MBTL1 (0.37) TSHRL3MBTL1SMN1; SMN2SIRT2KMT2A
SCHEMBL24846661 0.81 L3MBTL1 (0.39) TSHRL3MBTL1SMN1; SMN2SIRT2KMT2A
SCHEMBL24846067 0.81 SMN1; SMN2 (0.39) TSHRL3MBTL1SMN1; SMN2SIRT2KMT2A
SCHEMBL24846718 0.78 DGAT1 (0.41) TSHRKMT2AMEN1POLBNPC1
SCHEMBL24846403 0.78 DGAT1 (0.41) TSHRKMT2AMEN1POLBNPC1
SCHEMBL24846402 0.78 DGAT1 (0.41) TSHRKMT2AMEN1POLBNPC1
SCHEMBL24846602 0.74 DGAT1 (0.42) TSHRKMT2AMEN1POLBNPC1
SCHEMBL24846672 0.74 SMN1; SMN2 (0.42) TSHRL3MBTL1SMN1; SMN2SIRT2KMT2A

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 TSHR 1201/4885L3MBTL1 4659/4885SMN1; SMN2 4282/4885

“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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