SCHEMBL4336650

SCHEMBL4336650

CC(C)(C)c1ccc(CN2CCN(c3ccc(C=NNC(N)=S)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
MAOA P21397 1/20 0.50
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 4/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 3/20 0.44
RAB9A P51151 1/20 0.44
ESRRG P62508 1/20 0.44
DRD4 P21917 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL4336646 1.00 CA1 (0.51) CA1CA2CA7CA9MAOA
SCHEMBL4329323 0.86 CA1 (0.53) CA1CA2CA7CA9MAOA
SCHEMBL4329320 0.86 CA1 (0.53) CA1CA2CA7CA9MAOA
SCHEMBL4341482 0.86 CA2 (0.63) CA1CA2CA7CA9MAOA
SCHEMBL4341474 0.86 CA2 (0.63) CA1CA2CA7CA9MAOA
SCHEMBL4326169 0.84 LMNA (0.42) MAOAMAPTKDM4EGAALMNA
SCHEMBL4326165 0.84 LMNA (0.42) MAOAMAPTKDM4EGAALMNA
SCHEMBL4322083 0.84 LMNA (0.41) MAOAMAPTKDM4ELMNAALDH1A1
SCHEMBL4322081 0.84 LMNA (0.41) MAOAMAPTKDM4ELMNAALDH1A1
SCHEMBL4336537 0.84 CA1 (0.51) CA1CA2CA7CA9MAOA

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 CA1 4212/4885CA2 2391/4885CA7 4460/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 CA1 4236/4885CA2 2331/4885CA7 4498/4885

“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.