Sugi Predict

Sugi Predict / Compounds / SCHEMBL4334413

SCHEMBL4334413

SCHEMBL4334413

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.41
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALOX12 P18054 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ATM Q13315 1/20 0.34

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
SCHEMBL4334416 1.00 MAOB (0.41) MAOBMAPTALDH1A1GAAL3MBTL1
SCHEMBL6441733 0.91 MAOB (0.39) MAOBMAPTALDH1A1GAAL3MBTL1
SCHEMBL4459401 0.91 MAOB (0.39) MAOBMAPTALDH1A1GAAL3MBTL1
SCHEMBL4343431 0.90 MAOB (0.39) MAOBMAPTALDH1A1GAAL3MBTL1
SCHEMBL4343426 0.90 MAOB (0.39) MAOBMAPTALDH1A1GAAL3MBTL1
SCHEMBL4464608 0.82 MAOB (0.33) MAOBMAPTALDH1A1GAAL3MBTL1
SCHEMBL4464607 0.82 MAOB (0.33) MAOBMAPTALDH1A1GAAL3MBTL1
SCHEMBL4333134 0.81 MAOB (0.41) MAOBGAALMNAPOLBHTT
SCHEMBL4333137 0.81 MAOB (0.41) MAOBGAALMNAPOLBHTT
SCHEMBL4333185 0.81 MAOB (0.49) MAOBMAPTALDH1A1GAAL3MBTL1

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 7 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-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-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.