SCHEMBL24846086

SCHEMBL24846086

CCN(CC(C)(C)O)C(=O)Nc1nnc(Cc2cccc(F)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ GLS O94925 4/20 0.48
▸ DGAT1 O75907 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ FFAR1 O14842 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
SCHEMBL24846719 0.92 KMT2A (0.47) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846712 0.92 KMT2A (0.47) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24847734 0.92 KMT2A (0.47) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846602 0.90 DGAT1 (0.42) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846582 0.86 KMT2A (0.39) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846067 0.85 SMN1; SMN2 (0.39) KMT2AMEN1DGAT1NPC1RAB9A
SCHEMBL24846114 0.84 KMT2A (0.48) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846064 0.84 KMT2A (0.47) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846111 0.82 KMT2A (0.48) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846113 0.82 KMT2A (0.48) KMT2AMEN1GLSDGAT1NPC1

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 KMT2A 3840/4885MEN1 3172/4885GLS 1237/4885

“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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