SCHEMBL24846549

SCHEMBL24846549

CC(C)C(=O)Nc1nnc(Cc2cccc(F)c2F)s1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ TSHR P16473 1/20 0.58
▸ GLS O94925 4/20 0.57
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PLA2G1B P04054 1/20 0.47
▸ ATG4B Q9Y4P1 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL24846098 0.82 NPC1 (0.47) RAB9ANPC1TSHRGLSMEN1
SCHEMBL28952720 0.82 NPC1 (0.47) RAB9ANPC1TSHRGLSMEN1
SCHEMBL29837159 0.82 NPC1 (0.47) RAB9ANPC1TSHRGLSMEN1
SCHEMBL24846085 0.81 TSHR (0.57) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL24846069 0.81 RAB9A (0.67) RAB9ANPC1TSHRGLSMEN1
SCHEMBL24846070 0.80 TSHR (0.61) TSHRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL24953818 0.79 POLB (0.69) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL24846080 0.79 TSHR (0.57) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL24846063 0.77 TSHR (0.61) RAB9ANPC1TSHRGLSMEN1
SCHEMBL20887237 0.75 KDM4E (0.72) RAB9ANPC1GLSMEN1KMT2A

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 RAB9A 2006/4885NPC1 513/4885TSHR 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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