SCHEMBL4335701

SCHEMBL4335701

CN1CCN(c2cc(N3CC[C@@H]4CCCC[C@@H]4C3)c(F)cc2C=NNC(N)=S)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.39
POLB P06746 2/20 0.39
MAOB P27338 2/20 0.37
MAPT P10636 8/20 0.35
ALDH1A1 P00352 6/20 0.35
GAA P10253 3/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 3/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALOX12 P18054 2/20 0.32

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
SCHEMBL4335699 1.00 MCL1 (0.39) MCL1POLBMAOBMAPTALDH1A1
SCHEMBL4329110 0.89 MAOB (0.35) MAOBMAPTALDH1A1GAAKMT2A
SCHEMBL4329103 0.89 MAOB (0.35) MAOBMAPTALDH1A1GAAKMT2A
SCHEMBL13887299 0.88 MAOB (0.42) MAOBMAPTALDH1A1GAAKMT2A
SCHEMBL4464608 0.88 MAOB (0.33) MAOBMAPTALDH1A1GAAKMT2A
SCHEMBL4464607 0.88 MAOB (0.33) MAOBMAPTALDH1A1GAAKMT2A
SCHEMBL4456189 0.87 MAOB (0.35) MAOBMAPTALDH1A1GAAKMT2A
SCHEMBL4456192 0.87 MAOB (0.35) MAOBMAPTALDH1A1GAAKMT2A
SCHEMBL4336051 0.87 MAOB (0.34) MAOB
SCHEMBL4336049 0.87 MAOB (0.34) MAOB

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 3 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-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 MCL1 354/4885POLB 3179/4885MAOB 2762/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MCL1 594/4885POLB 3934/4885MAOB 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.