SCHEMBL24846063

SCHEMBL24846063

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ RAB9A P51151 2/20 0.54
▸ DGAT1 O75907 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GLS O94925 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL24846069 0.88 RAB9A (0.67) TSHRSMN1; SMN2RAB9ADGAT1KMT2A
SCHEMBL24846070 0.87 TSHR (0.61) TSHRSMN1; SMN2TP53KMT2AMEN1
SCHEMBL24846080 0.84 TSHR (0.57) TSHRSMN1; SMN2RAB9ATP53KMT2A
SCHEMBL24846085 0.81 TSHR (0.57) TSHRSMN1; SMN2RAB9ATP53KMT2A
SCHEMBL24846062 0.80 DGAT1 (0.43) TSHRDGAT1KMT2AMEN1KDM4E
SCHEMBL24846107 0.80 DGAT1 (0.43) TSHRRAB9ADGAT1KMT2AMEN1
SCHEMBL24846089 0.80 DGAT1 (0.43) TSHRDGAT1KMT2AMEN1KDM4E
SCHEMBL24846053 0.79 DGAT1 (0.48) TSHRSMN1; SMN2RAB9ADGAT1KMT2A
SCHEMBL24953968 0.78 MEN1 (0.66) SMN1; SMN2RAB9AKMT2AMEN1KDM4E
SCHEMBL24846549 0.77 RAB9A (0.60) TSHRSMN1; SMN2RAB9AKMT2AMEN1

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 1201/4885SMN1; SMN2 4282/4885RAB9A 2006/4885

“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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