SCHEMBL26097137

SCHEMBL26097137

CN(CC(=O)N1Cc2ccccc2C1)Cc1nc2ccc(F)cc2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALPL P05186 2/20 0.47
ALPI P09923 1/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 3/20 0.43
PARP1 P09874 4/20 0.43
PARP2 Q9UGN5 3/20 0.43
TNKS O95271 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL26096345 0.92 KMT2A (0.47) KMT2AALPLALPIALDH1A1LMNA
SCHEMBL30132060 0.88 KMT2A (0.60) KMT2AALPLALPIALDH1A1LMNA
SCHEMBL23723559 0.84 ALDH1A1 (0.52) KMT2AALPLALPIALDH1A1LMNA
SCHEMBL30368909 0.79 KMT2A (0.54) KMT2AALPLALPIALDH1A1LMNA
SCHEMBL23723624 0.78 SPR (0.49) KMT2AALPLALPIALDH1A1LMNA
SCHEMBL30132092 0.77 ALDH1A1 (0.47) KMT2AALPLALPIALDH1A1LMNA
SCHEMBL30132053 0.77 TNKS (0.42) KMT2AALPLALPIALDH1A1LMNA
SCHEMBL23723707 0.77 TNKS (0.42) KMT2AALPLALPIALDH1A1LMNA
SCHEMBL26521619 0.77 ALDH1A1 (0.47) KMT2AALPLALPIALDH1A1LMNA
SCHEMBL23723653 0.77 ALPL (0.48) KMT2AALPLALPIALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
CN-115397423-A Combination therapy for the treatment of MPS1 增益治疗股份有限公司 2022-11-25 CN 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-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 KMT2A 3761/4885ALPL 653/4885ALPI 902/4885

“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.