SCHEMBL23749872

SCHEMBL23749872

CN(CC(=O)N(C)c1ccc(Cl)c(Cl)c1)Cc1nc2cc(F)ccc2c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
ALPL P05186 2/20 0.41
ALPI P09923 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
PARP14 Q460N5 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30120702 1.00 ALDH1A1 (0.45) ALDH1A1GAAHPGDALPLALPI
SCHEMBL30132071 0.93 ALPL (0.41) ALDH1A1GAAHPGDALPLALPI
SCHEMBL23723540 0.93 ALPL (0.41) ALDH1A1GAAHPGDALPLALPI
SCHEMBL26095189 0.90 GAA (0.43) ALDH1A1GAAHPGDALPLALPI
SCHEMBL30120693 0.87 ALDH1A1 (0.47) ALDH1A1GAAHPGDALPLALPI
SCHEMBL26521621 0.87 ALDH1A1 (0.47) ALDH1A1GAAHPGDALPLALPI
SCHEMBL30120689 0.85 ALPL (0.48) ALDH1A1GAAHPGDALPLALPI
SCHEMBL23723550 0.85 ALPL (0.48) ALDH1A1GAAHPGDALPLALPI
SCHEMBL23723547 0.84 KMT2A (0.42) ALDH1A1GAAALPLALPIKMT2A
SCHEMBL30120714 0.84 KMT2A (0.42) ALDH1A1GAAALPLALPIKMT2A

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
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
WO-2021156774-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2021-08-12 WO 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 ALDH1A1 796/4885GAA 4/4885HPGD 3872/4885

“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.