SCHEMBL24846602

SCHEMBL24846602

CCN(CC(C)(C)O)C(=O)Nc1nnc(Cc2cc(F)cc(F)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.42
▸ KMT2A Q03164 7/20 0.41
▸ TSHR P16473 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
▸ MEN1 O00255 6/20 0.40
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLS O94925 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL24846582 0.94 KMT2A (0.39) DGAT1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL24846067 0.93 SMN1; SMN2 (0.39) DGAT1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL24846086 0.90 KMT2A (0.48) DGAT1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL24846646 0.87 DGAT1 (0.43) DGAT1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL24846095 0.83 DGAT1 (0.42) DGAT1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL24846671 0.82 DGAT1 (0.40) DGAT1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL24846712 0.81 KMT2A (0.47) DGAT1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL24846083 0.81 DGAT1 (0.42) DGAT1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL24846403 0.80 DGAT1 (0.41) DGAT1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL24846402 0.80 DGAT1 (0.41) DGAT1KMT2ATSHRCYP1A2CYP3A4

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 DGAT1 811/4885KMT2A 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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