SCHEMBL25940602

SCHEMBL25940602

CC(=O)Cn1nc(C(C)=O)c2ccc(C(=O)OCc3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ JMJD6 Q6NYC1 1/20 0.44
▸ LMNA P02545 4/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CFD P00746 2/20 0.40
▸ MAOB P27338 1/20 0.39
▸ ADORA2A P29274 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
SCHEMBL12480283 0.94 MAPT (0.48) TDP1MAPTL3MBTL1JMJD6LMNA
SCHEMBL20489035 0.88 TDP1 (0.44) TDP1MAPTL3MBTL1JMJD6LMNA
SCHEMBL25940606 0.87 MAPT (0.48) TDP1MAPTL3MBTL1JMJD6LMNA
SCHEMBL25940499 0.81 SLC22A12 (0.47) MAPTKMT2ACFD
SCHEMBL12480012 0.77 CFD (0.48) LMNARAB9AALDH1A1HPGDKDM4E
SCHEMBL12480120 0.75 LMNA (0.43) TDP1MAPTL3MBTL1JMJD6LMNA
SCHEMBL20487896 0.74 MAPT (0.42) TDP1MAPTL3MBTL1JMJD6LMNA
SCHEMBL25925430 0.74 CFD (0.49) LMNARAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL25925405 0.73 CFD (0.42) MAPTLMNARAB9AALDH1A1KDM4E
SCHEMBL25926111 0.73 CFD (0.39) CFD

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-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 — — 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH TDP1 4701/4885MAPT 3729/4885L3MBTL1 4664/4885

“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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