Sugi Predict

Sugi Predict / Compounds / SCHEMBL6441733

SCHEMBL6441733

SCHEMBL6441733

CCC(CC)N1CCN(c2cc(N3CCCC3)c(/C=N/NC(N)=S)cc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.39
▸ MAPT P10636 6/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GPR174 Q9BXC1 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 4/20 0.34
▸ ALOX12 P18054 4/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4459401 1.00 MAOB (0.39) MAOBMAPTALDH1A1MEN1USP2
SCHEMBL4343431 0.99 MAOB (0.39) MAOBMAPTALDH1A1MEN1USP2
SCHEMBL4343426 0.99 MAOB (0.39) MAOBMAPTALDH1A1MEN1USP2
SCHEMBL4334413 0.91 MAOB (0.41) MAOBMAPTALDH1A1MEN1USP2
SCHEMBL4334416 0.91 MAOB (0.41) MAOBMAPTALDH1A1MEN1USP2
SCHEMBL4464608 0.87 MAOB (0.33) MAOBMAPTALDH1A1MEN1USP2
SCHEMBL4464607 0.87 MAOB (0.33) MAOBMAPTALDH1A1MEN1USP2
SCHEMBL4325081 0.83 MAPT (0.43) MAOBMAPTALDH1A1GAAKMT2A
SCHEMBL4325078 0.83 MAPT (0.43) MAOBMAPTALDH1A1GAAKMT2A
SCHEMBL13612362 0.81 HTT (0.38) MAOBMAPTALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 — — US disclosed
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 — — US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 — — US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 — — US disclosed
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 — — 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 (2 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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 2762/4885MAPT 3619/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885MAPT 3876/4885ALDH1A1 1173/4885

“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.