SCHEMBL24846064

SCHEMBL24846064

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GLS O94925 4/20 0.46
▸ DGAT1 O75907 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ FFAR1 O14842 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
SCHEMBL24846671 0.91 DGAT1 (0.40) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL24846091 0.90 SMN1; SMN2 (0.44) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL24846114 0.90 KMT2A (0.48) KMT2AMEN1GLSDGAT1NPC1
SCHEMBL24846112 0.87 KMT2A (0.37) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL24846681 0.86 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL24846086 0.84 KMT2A (0.48) KMT2AMEN1SMN1; SMN2GLSDGAT1
SCHEMBL24846120 0.84 GAA (0.41) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL24847734 0.83 KMT2A (0.47) KMT2AMEN1SMN1; SMN2GLSDGAT1
SCHEMBL24846719 0.83 KMT2A (0.47) KMT2AMEN1SMN1; SMN2GLSDGAT1
SCHEMBL24846712 0.83 KMT2A (0.47) KMT2AMEN1SMN1; SMN2GLSDGAT1

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 3840/4885MEN1 3172/4885SMN1; SMN2 4282/4885

“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