Sugi Predict

Sugi Predict / Compounds / SCHEMBL4329130

SCHEMBL4329130

SCHEMBL4329130

NC(=S)N/N=C/c1cc(F)c(N2CCC(NCc3ccccc3Cl)CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.42
▸ HTT P42858 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ BCHE P06276 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ ALOX12 P18054 3/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.35

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
SCHEMBL4329133 1.00 MAOB (0.42) MAOBHTTKDM4ETMEM97SIGMAR1
SCHEMBL4340441 0.96 TMEM97 (0.42) MAOBHTTKDM4ETMEM97SIGMAR1
SCHEMBL4338112 0.96 TMEM97 (0.42) MAOBHTTKDM4ETMEM97SIGMAR1
SCHEMBL4338115 0.96 TMEM97 (0.42) MAOBHTTKDM4ETMEM97SIGMAR1
SCHEMBL4340438 0.96 TMEM97 (0.42) MAOBHTTKDM4ETMEM97SIGMAR1
SCHEMBL4336927 0.91 TMEM97 (0.41) MAOBHTTKDM4ETMEM97SIGMAR1
SCHEMBL4336923 0.91 TMEM97 (0.41) MAOBHTTKDM4ETMEM97SIGMAR1
SCHEMBL4331977 0.87 MAOB (0.46) MAOBHTTKDM4ETMEM97SIGMAR1
SCHEMBL4326990 0.87 MAOB (0.46) MAOBHTTKDM4ETMEM97SIGMAR1
SCHEMBL4326985 0.87 MAOB (0.46) MAOBHTTKDM4ETMEM97SIGMAR1

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 2762/4885HTT 2994/4885KDM4E 3010/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885HTT 3282/4885KDM4E 2338/4885

“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.