SCHEMBL4326191

SCHEMBL4326191

S=C(NCC1CCCO1)NN=CC1CCCCN1Cc1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.48
HPGD P15428 5/20 0.48
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 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
SCHEMBL4326189 1.00 GAA (0.48) GAAHPGDALDH1A1HTTKDM4E
SCHEMBL4331965 0.87 SMN1; SMN2 (0.52) GAAHPGDALDH1A1HTTKDM4E
SCHEMBL4331960 0.87 SMN1; SMN2 (0.52) GAAHPGDALDH1A1HTTKDM4E
SCHEMBL4341394 0.82 GAA (0.47) GAAHPGDALDH1A1KDM4EKMT2A
SCHEMBL4341401 0.82 GAA (0.47) GAAHPGDALDH1A1KDM4EKMT2A
SCHEMBL4336632 0.81 GAA (0.47) GAAHPGDALDH1A1HTTKDM4E
SCHEMBL4336640 0.81 GAA (0.47) GAAHPGDALDH1A1HTTKDM4E
SCHEMBL4340051 0.80 GAA (0.45) GAAHPGDALDH1A1KDM4EKMT2A
SCHEMBL4340044 0.80 GAA (0.45) GAAHPGDALDH1A1KDM4EKMT2A
SCHEMBL4337962 0.80 LMNA (0.52) GAAHPGDALDH1A1KDM4EKMT2A

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 GAA 2113/4885HPGD 1646/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 GAA 2263/4885HPGD 1495/4885ALDH1A1 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.