SCHEMBL24846115

SCHEMBL24846115

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ UBE2N P61088 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
SCHEMBL24846114 0.89 KMT2A (0.48) GLSKDM4EKMT2ATSHRCYP1A2
SCHEMBL24846119 0.85 KMT2A (0.39) GLSKDM4EKMT2ARXFP1TSHR
SCHEMBL24846054 0.84 KMT2A (0.43) KDM4EKMT2ARXFP1TSHRALDH1A1
SCHEMBL24846095 0.82 DGAT1 (0.42) GLSKDM4EKMT2ATSHRALDH1A1
SCHEMBL24846672 0.82 SMN1; SMN2 (0.42) KDM4EKMT2ATSHRALDH1A1CYP1A2
SCHEMBL24846717 0.82 CFTR (0.45) GLSKMT2ARXFP1ALDH1A1POLB
SCHEMBL29837159 0.79 NPC1 (0.47) GLSKDM4EKMT2ATSHRALDH1A1
SCHEMBL28952720 0.79 NPC1 (0.47) GLSKDM4EKMT2ATSHRALDH1A1
SCHEMBL24846098 0.79 NPC1 (0.47) GLSKDM4EKMT2ATSHRALDH1A1
SCHEMBL24846064 0.79 KMT2A (0.47) GLSKMT2ATSHRCYP1A2CYP3A4

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 GLS 1237/4885KDM4E 3619/4885KMT2A 3840/4885

“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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