SCHEMBL4331575

SCHEMBL4331575

CC(C)N1CCN(c2ccc(C=NNC(N)=S)c(F)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
GAA P10253 6/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 7/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 5/20 0.38
ALOX12 P18054 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
GUSB P08236 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MPI P34949 1/20 0.37

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
SCHEMBL4331568 1.00 MAOB (0.43) MAOBGAAL3MBTL1KDM4EMAPT
SCHEMBL4332266 0.87 MAOB (0.44) MAOBGAAL3MBTL1KDM4EMAPT
SCHEMBL4332263 0.87 MAOB (0.44) MAOBGAAL3MBTL1KDM4EMAPT
SCHEMBL4334461 0.80 MAOB (0.39) MAOBGAAL3MBTL1KDM4EMAPT
SCHEMBL4334463 0.80 MAOB (0.39) MAOBGAAL3MBTL1KDM4EMAPT
SCHEMBL4334676 0.79 MAOB (0.41) MAOBGAAL3MBTL1KDM4EMAPT
SCHEMBL4334681 0.79 MAOB (0.41) MAOBGAAL3MBTL1KDM4EMAPT
SCHEMBL4464680 0.79 CASP3 (0.50) MAOBGAAL3MBTL1KDM4EMAPT
SCHEMBL4464686 0.79 CASP3 (0.50) MAOBGAAL3MBTL1KDM4EMAPT
SCHEMBL4322538 0.78 L3MBTL1 (0.49) MAOBGAAL3MBTL1KDM4EALDH1A1

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 MAOB 2762/4885GAA 2113/4885L3MBTL1 3722/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885GAA 2263/4885L3MBTL1 3686/4885

“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.