SCHEMBL13612362

SCHEMBL13612362

CCC(CC)N1CCN(c2cc(N3CCC(Cc4ccccc4Cl)CC3)c(F)cc2/C=N/NC(N)=S)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAOB P27338 1/20 0.36
MAPT P10636 8/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TOP2B Q02880 1/20 0.33
GCGR P47871 1/20 0.33
GAA P10253 5/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 5/20 0.32
LMNA P02545 4/20 0.32
ALOX12 P18054 3/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 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
SCHEMBL4325078 0.88 MAPT (0.43) HTTKDM4EMAOBMAPTSMN1; SMN2
SCHEMBL4325081 0.88 MAPT (0.43) HTTKDM4EMAOBMAPTSMN1; SMN2
SCHEMBL13612323 0.87 ALDH1A1 (0.41) HTTKDM4EMAOBMAPTSMN1; SMN2
SCHEMBL4327721 0.82 ALDH1A1 (0.49) HTTKDM4EMAPTSMN1; SMN2GAA
SCHEMBL4327729 0.82 ALDH1A1 (0.49) HTTKDM4EMAPTSMN1; SMN2GAA
SCHEMBL4459401 0.81 MAOB (0.39) HTTKDM4EMAOBMAPTSMN1; SMN2
SCHEMBL6441733 0.81 MAOB (0.39) HTTKDM4EMAOBMAPTSMN1; SMN2
SCHEMBL4343431 0.81 MAOB (0.39) KDM4EMAOBMAPTKMT2AMEN1
SCHEMBL4343426 0.81 MAOB (0.39) KDM4EMAOBMAPTKMT2AMEN1
SCHEMBL4464607 0.79 MAOB (0.33) MAOBMAPTKMT2AMEN1GAA

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HTT 2994/4885KDM4E 3010/4885MAOB 2762/4885

“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.