SCHEMBL23872895

SCHEMBL23872895

CCS(=O)(=O)Nc1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SCN1A P35498 4/20 0.44
▸ SCN5A Q14524 4/20 0.44
▸ SCN8A Q9UQD0 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SCN9A Q15858 6/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ LMNA P02545 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
SCHEMBL20333513 0.81 PIK3CD (0.41) SCN1ASCN5ASCN8ASMN1; SMN2HTT
SCHEMBL14080696 0.77 HSP90AA1 (0.40) SCN1ASCN5ASCN8ASMN1; SMN2HTT
SCHEMBL23308873 0.77 SCN1A (0.38) SCN1ASCN5ASCN8ASMN1; SMN2HTT
SCHEMBL20330202 0.76 SCN1A (0.43) SCN1ASCN5ASCN8ASMN1; SMN2HTT
SCHEMBL21790175 0.76 SCN1A (0.38) SCN1ASCN5ASCN8ASMN1; SMN2HTT
SCHEMBL6320584 0.76 KDM4E (0.61) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL21307084 0.74 SCN1A (0.37) SCN1ASCN5ASCN8ASMN1; SMN2HTT
SCHEMBL22984858 0.73 SCN9A (0.37) SCN1ASCN5ASCN8ASMN1; SMN2HTT
SCHEMBL18843940 0.73 SCN9A (0.54) SMN1; SMN2HTTCYP2C19KDM4EALDH1A1
SCHEMBL21755120 0.72 HPGD (0.73) HPGDMAPTL3MBTL1SMN1; SMN2HTT

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-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 — — 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-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH HPGD 115/4885MAPT 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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