Sugi Predict

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SCHEMBL4324178

SCHEMBL4324178

NC(=S)N/N=C/c1cc(F)c(N2CCC(NCc3ccccc3)CC2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.45
▸ GAA P10253 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ ACHE P22303 4/20 0.40
▸ BACE1 P56817 4/20 0.40
▸ BCHE P06276 3/20 0.40
▸ CCR3 P51677 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL4324180 1.00 MAOB (0.45) MAOBGAAALDH1A1TMEM97SIGMAR1
SCHEMBL4329139 0.95 MAOB (0.44) MAOBGAAALDH1A1TMEM97SIGMAR1
SCHEMBL4322290 0.95 MAOB (0.44) MAOBGAAALDH1A1TMEM97SIGMAR1
SCHEMBL4327749 0.95 MAOB (0.44) MAOBGAAALDH1A1TMEM97SIGMAR1
SCHEMBL4327756 0.95 MAOB (0.44) MAOBGAAALDH1A1TMEM97SIGMAR1
SCHEMBL4457930 0.91 TMEM97 (0.48) MAOBGAAALDH1A1TMEM97SIGMAR1
SCHEMBL4451504 0.91 TMEM97 (0.48) MAOBGAAALDH1A1TMEM97SIGMAR1
SCHEMBL4332967 0.91 TMEM97 (0.41) MAOBGAAALDH1A1TMEM97SIGMAR1
SCHEMBL4332973 0.91 TMEM97 (0.41) MAOBGAAALDH1A1TMEM97SIGMAR1
SCHEMBL4329387 0.88 BCHE (0.41) MAOBGAAALDH1A1TMEM97SIGMAR1

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 6 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-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.