SCHEMBL4331698

SCHEMBL4331698

COCCN1CCN(c2c(F)cc(C=NNC(N)=S)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
MAOA P21397 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL4331694 1.00 MAOB (0.40) MAOBMAOAHPGDALDH1A1SMN1; SMN2
SCHEMBL4336633 0.84 MAOB (0.47) MAOBMAOAALDH1A1SMN1; SMN2KDM4E
SCHEMBL4336631 0.84 MAOB (0.47) MAOBMAOAALDH1A1SMN1; SMN2KDM4E
SCHEMBL4336715 0.81 MAOB (0.44) MAOBKDM4ELMNAPOLBHTT
SCHEMBL4336713 0.81 MAOB (0.44) MAOBKDM4ELMNAPOLBHTT
SCHEMBL4331664 0.79 MAPT (0.52) HPGDALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL4331668 0.79 MAPT (0.52) HPGDALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL4344407 0.79 POLB (0.48) MAOBMAOAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4344411 0.79 POLB (0.48) MAOBMAOAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4333865 0.79 MAOB (0.44) MAOBMAOAALDH1A1SMN1; SMN2KDM4E

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 2762/4885MAOA 4418/4885HPGD 1646/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885MAOA 4455/4885HPGD 1495/4885

“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.