SCHEMBL4336633

SCHEMBL4336633

CN1CCN(c2c(F)cc(C=NNC(N)=S)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 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
SCHEMBL4336631 1.00 MAOB (0.47) MAOBKDM4EPOLBGAAHTT
SCHEMBL4333865 0.86 MAOB (0.44) MAOBKDM4EPOLBGAAHTT
SCHEMBL4333863 0.86 MAOB (0.44) MAOBKDM4EPOLBGAAHTT
SCHEMBL4331694 0.84 MAOB (0.40) MAOBKDM4EPOLBGAAHTT
SCHEMBL4331698 0.84 MAOB (0.40) MAOBKDM4EPOLBGAAHTT
SCHEMBL4333137 0.83 MAOB (0.41) MAOBKDM4EPOLBGAAHTT
SCHEMBL4333134 0.83 MAOB (0.41) MAOBKDM4EPOLBGAAHTT
SCHEMBL4329900 0.82 MAOB (0.42) MAOBKDM4EPOLBALDH1A1LMNA
SCHEMBL4329897 0.82 MAOB (0.42) MAOBKDM4EPOLBALDH1A1LMNA
SCHEMBL4335431 0.81 MAOB (0.41) MAOBKDM4EPOLBALDH1A1LMNA

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 2762/4885KDM4E 3010/4885POLB 3179/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885KDM4E 2338/4885POLB 3934/4885

“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.