SCHEMBL24846672

SCHEMBL24846672

CCN(C[C@H](C)O)C(=O)Nc1nnc(Cc2cc(Cl)cc(Cl)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 4/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL24846603 0.93 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ATSHRL3MBTL1CYP1A2
SCHEMBL24846120 0.88 GAA (0.41) SMN1; SMN2KMT2ATSHRL3MBTL1CYP1A2
SCHEMBL24846095 0.87 DGAT1 (0.42) KMT2ATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL24846717 0.86 CFTR (0.45) SMN1; SMN2KMT2AL3MBTL1SIRT2POLB
SCHEMBL24846054 0.85 KMT2A (0.43) SMN1; SMN2KMT2ATSHRCYP1A2CYP3A4
SCHEMBL24846119 0.84 KMT2A (0.39) KMT2ATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL24846073 0.83 RAB9A (0.41) SMN1; SMN2KMT2AL3MBTL1SIRT2KDM4E
SCHEMBL24846681 0.83 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ATSHRL3MBTL1CYP1A2
SCHEMBL24846115 0.82 GLS (0.49) KMT2ATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL24846114 0.82 KMT2A (0.48) KMT2ATSHRCYP1A2CYP3A4CYP2C9

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 4282/4885KMT2A 3840/4885TSHR 1201/4885

“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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