SCHEMBL4455405

SCHEMBL4455405

N#CCCN1CCN(c2cc(F)c(/C=N/NC(N)=S)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.46
GAA P10253 5/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
MAOB P27338 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL4455409 1.00 ALDH1A1 (0.47) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4328890 0.83 MAOB (0.43) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4328894 0.83 MAOB (0.43) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4340048 0.83 ALDH1A1 (0.44) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4340053 0.83 ALDH1A1 (0.44) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4323917 0.82 LMNA (0.41) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4323919 0.82 LMNA (0.41) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4331046 0.82 MAOB (0.46) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4331045 0.82 MAOB (0.46) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4333185 0.80 MAOB (0.49) ALDH1A1MAPTGAAMEN1KMT2A

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-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 1459/4885MAPT 3619/4885GAA 2113/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885MAPT 3876/4885GAA 2263/4885

“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.