SCHEMBL25613829

SCHEMBL25613829

COc1cccc(-c2csc(N/N=C/c3ccccc3C)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 9/20 0.58
▸ MAOB P27338 9/20 0.58
▸ MGAM O43451 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ SI P14410 1/20 0.54
▸ MGAM2 Q2M2H8 1/20 0.54
▸ IDO1 P14902 1/20 0.54
▸ HPGD P15428 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ PTGS2 P35354 1/20 0.52
▸ DHODH Q02127 1/20 0.52

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
SCHEMBL25613768 0.85 GAA (0.68) MAOAMAOBMGAMGAASI
SCHEMBL19631476 0.85 DHODH (0.76) MAOAMAOBMGAMGAASI
SCHEMBL20956540 0.85 DHODH (0.76) MAOAMAOBMGAMGAASI
SCHEMBL25614217 0.85 DHODH (0.63) MAOAMAOBIDO1HPGDSMN1; SMN2
SCHEMBL25613885 0.83 GAA (0.72) MAOAMAOBMGAMGAASI
SCHEMBL25614224 0.81 DHODH (0.58) MAOAMAOBMGAMGAASI
SCHEMBL25613862 0.81 GUSB (0.67) MAOAMAOBMGAMGAASI
SCHEMBL25613837 0.80 DHODH (0.56) MAOAMAOBMGAMGAASI
SCHEMBL25613755 0.78 DHODH (0.56) MAOAMAOBMGAMGAASI
SCHEMBL12443462 0.75 MEN1 (0.72) MAOAMAOBGAAHPGDSMN1; SMN2

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-20230190713-A1 ANTI-RNA VIRUS DRUG AND APPLICATION THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-06-22 — — 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-20230190713-A1 ANTI-RNA VIRUS DRUG AND APPLICATION THEREOF SARS1, EIF2AK2, NSUN3 MAOA 4585/4885MAOB 4626/4885MGAM 3560/4885

“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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