SCHEMBL24846112

SCHEMBL24846112

CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1nnc(Cc2cc(C)cc(F)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL24846671 0.94 DGAT1 (0.40) KMT2AGAAMAPTXBP1SMN1; SMN2
SCHEMBL24846681 0.90 SMN1; SMN2 (0.42) KMT2AGAAMAPTXBP1SMN1; SMN2
SCHEMBL24846119 0.90 KMT2A (0.39) KMT2ARXFP1GAADGAT1MEN1
SCHEMBL24846064 0.87 KMT2A (0.47) KMT2AGAAMAPTXBP1SMN1; SMN2
SCHEMBL24846120 0.86 GAA (0.41) KMT2AGAAMAPTXBP1SMN1; SMN2
SCHEMBL24846582 0.84 KMT2A (0.39) KMT2ARXFP1GAAMAPTDGAT1
SCHEMBL24846095 0.83 DGAT1 (0.42) KMT2AMAPTDGAT1MEN1TSHR
SCHEMBL24846068 0.82 DGAT1 (0.41) KMT2AMAPTDGAT1MEN1TSHR
SCHEMBL24846554 0.82 DGAT1 (0.41) KMT2AMAPTDGAT1MEN1TSHR
SCHEMBL24846091 0.81 SMN1; SMN2 (0.44) KMT2AGAAMAPTXBP1SMN1; SMN2

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 3840/4885RXFP1 212/4885GAA 709/4885

“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.

Send feedback