SCHEMBL4336685

SCHEMBL4336685

NC(=S)N/N=C/c1ccc(N2CCN(Cc3ccccc3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
MAOB P27338 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL4336689 1.00 ACHE (0.46) ACHEALDH1A1LMNACA1CA2
SCHEMBL6442533 0.96 ACHE (0.44) ACHEALDH1A1LMNACA1CA2
SCHEMBL4448482 0.96 ACHE (0.44) ACHEALDH1A1LMNACA1CA2
SCHEMBL4338895 0.93 PKM (0.44) ACHEALDH1A1LMNAPOLBKDM4E
SCHEMBL4338897 0.93 PKM (0.44) ACHEALDH1A1LMNAPOLBKDM4E
SCHEMBL4340024 0.91 TYR (0.45) ALDH1A1LMNAMAPTKDM4EMAOB
SCHEMBL4340026 0.91 TYR (0.45) ALDH1A1LMNAMAPTKDM4EMAOB
SCHEMBL4327274 0.91 ALDH1A1 (0.45) ACHEALDH1A1LMNAPOLBKDM4E
SCHEMBL4327267 0.91 ALDH1A1 (0.45) ACHEALDH1A1LMNAPOLBKDM4E
SCHEMBL4337017 0.89 KDM4E (0.46) ALDH1A1LMNAMAPK1MAPTPOLB

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 ACHE 2128/4885ALDH1A1 1459/4885LMNA 4884/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ACHE 1897/4885ALDH1A1 1173/4885LMNA 4885/4885

“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.