SCHEMBL4453808

SCHEMBL4453808

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3ccc(C(F)(F)F)cc3F)CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAOB P27338 1/20 0.38
ACHE P22303 1/20 0.38
RRM2 P31350 1/20 0.37
MGLL Q99685 3/20 0.36
ABHD6 Q9BV23 3/20 0.36
CYP2D6 P10635 1/20 0.36
PLA2G7 Q13093 1/20 0.35
FAAH O00519 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 1/20 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
SCHEMBL4335723 1.00 ALDH1A1 (0.42) ALDH1A1LMNAMAOBACHERRM2
SCHEMBL13611549 0.89 ALDH1A1 (0.46) ALDH1A1LMNAMAOBACHEKDM4E
SCHEMBL4332065 0.89 KDM4E (0.43) ALDH1A1LMNAMAOBACHERRM2
SCHEMBL4332060 0.89 KDM4E (0.43) ALDH1A1LMNAMAOBACHERRM2
SCHEMBL4324288 0.85 MAOB (0.50) ALDH1A1LMNAMAOBRRM2KDM4E
SCHEMBL4324284 0.85 MAOB (0.50) ALDH1A1LMNAMAOBRRM2KDM4E
SCHEMBL4332913 0.85 MAOB (0.43) ALDH1A1MAOBKDM4EMEN1KMT2A
SCHEMBL4332910 0.85 MAOB (0.43) ALDH1A1MAOBKDM4EMEN1KMT2A
SCHEMBL4329880 0.83 ALDH1A1 (0.51) ALDH1A1LMNAMAOBACHEKDM4E
SCHEMBL4329878 0.83 ALDH1A1 (0.51) ALDH1A1LMNAMAOBACHEKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885LMNA 4885/4885MAOB 3093/4885

“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.