SCHEMBL4333906

SCHEMBL4333906

CCC(CC)N1CCN(c2ccc(C=NNC(N)=S)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4333902 1.00 MAOA (0.53) MAOAKDM4EALDH1A1GAAHPGD
SCHEMBL4323784 0.83 MAOA (0.45) MAOAKDM4EGAALMNASMN1; SMN2
SCHEMBL4323781 0.83 MAOA (0.45) MAOAKDM4EGAALMNASMN1; SMN2
SCHEMBL4338617 0.82 MAOA (0.44) MAOAKDM4EGAALMNASMN1; SMN2
SCHEMBL4338613 0.82 MAOA (0.44) MAOAKDM4EGAALMNASMN1; SMN2
SCHEMBL4334373 0.82 ALDH1A1 (0.47) MAOAKDM4EALDH1A1GAAHPGD
SCHEMBL4334369 0.82 ALDH1A1 (0.47) MAOAKDM4EALDH1A1GAAHPGD
SCHEMBL4338782 0.82 ALDH1A1 (0.39) MAOAKDM4EALDH1A1GAAHPGD
SCHEMBL4330713 0.82 MAOA (0.45) MAOAKDM4EGAALMNASMN1; SMN2
SCHEMBL4330709 0.82 MAOA (0.45) MAOAKDM4EGAALMNASMN1; SMN2

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 MAOA 4418/4885KDM4E 3010/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOA 4455/4885KDM4E 2338/4885ALDH1A1 1173/4885

“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.