Sugi Predict

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SCHEMBL4455942

SCHEMBL4455942

CC(C)N1CCN(c2cc(N3CCN(c4cccc(Cl)c4)CC3)c(F)cc2/C=N/NC(N)=S)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ MCOLN2 Q8IZK6 6/20 0.41
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALOX12 P18054 4/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR6 P50406 1/20 0.39

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
SCHEMBL4455943 1.00 ALDH1A1 (0.50) ALDH1A1MCOLN2MAPTKMT2AMEN1
SCHEMBL4336306 0.90 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4336300 0.90 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL13612459 0.89 ALDH1A1 (0.48) ALDH1A1MCOLN2MAPTKMT2AMEN1
SCHEMBL4451935 0.88 LMNA (0.44) MAPTKMT2AMEN1HTTALOX12
SCHEMBL4451937 0.88 LMNA (0.44) MAPTKMT2AMEN1HTTALOX12
SCHEMBL4322821 0.87 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4322826 0.87 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4340048 0.84 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4340053 0.84 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1HTT

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-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 ALDH1A1 1459/4885MCOLN2 2899/4885MAPT 3619/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885MCOLN2 3052/4885MAPT 3876/4885

“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.