Sugi Predict

Sugi Predict / Compounds / SCHEMBL4336929

SCHEMBL4336929

SCHEMBL4336929

NC(=S)NN=Cc1cc(F)c(N2CCC(NCc3ccccc3OC(F)(F)F)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.39
▸ GAA P10253 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ EPHX2 P34913 4/20 0.36
▸ CYP2C9 P11712 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GLS O94925 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GCGR P47871 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
SCHEMBL4336926 1.00 MAOB (0.39) MAOBGAAALDH1A1EPHX2CYP2C9
SCHEMBL4344401 0.96 MAOB (0.38) MAOBGAAALDH1A1EPHX2CYP2C9
SCHEMBL13611903 0.96 MAOB (0.38) MAOBGAAALDH1A1EPHX2CYP2C9
SCHEMBL4344398 0.96 MAOB (0.38) MAOBGAAALDH1A1EPHX2CYP2C9
SCHEMBL4334614 0.96 MAOB (0.38) MAOBGAAALDH1A1EPHX2CYP2C9
SCHEMBL4334613 0.96 MAOB (0.38) MAOBGAAALDH1A1EPHX2CYP2C9
SCHEMBL4327789 0.86 MAOB (0.41) MAOBGAAALDH1A1EPHX2CYP2C9
SCHEMBL4327787 0.86 MAOB (0.41) MAOBGAAALDH1A1EPHX2CYP2C9
SCHEMBL4329133 0.85 MAOB (0.42) MAOBGAAALDH1A1CYP2C9KMT2A
SCHEMBL4329130 0.85 MAOB (0.42) MAOBGAAALDH1A1CYP2C9KMT2A

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 3 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-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 2762/4885GAA 2113/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885GAA 2263/4885ALDH1A1 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.