SCHEMBL4329484

SCHEMBL4329484

S=C(NCC1CCCO1)NN=Cc1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.57
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 5/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 7/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.50
ALOX12 P18054 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PHGDH O43175 2/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL4329474 1.00 GAA (0.57) GAAKDM4EALDH1A1HTTHPGD
SCHEMBL4332803 0.89 GAA (0.61) GAAKDM4EALDH1A1HTTHPGD
SCHEMBL4332809 0.89 GAA (0.61) GAAKDM4EALDH1A1HTTHPGD
SCHEMBL4328243 0.88 ALDH1A1 (0.64) GAAKDM4EALDH1A1HTTHPGD
SCHEMBL4328249 0.88 ALDH1A1 (0.64) GAAKDM4EALDH1A1HTTHPGD
SCHEMBL4455893 0.88 KMT2A (0.59) GAAKDM4EALDH1A1HTTHPGD
SCHEMBL4455900 0.88 KMT2A (0.59) GAAKDM4EALDH1A1HTTHPGD
SCHEMBL13611595 0.81 ALDH1A1 (0.75) GAAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL4455965 0.81 ALDH1A1 (0.75) GAAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL4461766 0.80 KDM4E (0.70) GAAKDM4EALDH1A1HTTHPGD

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 2113/4885KDM4E 3010/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 GAA 2263/4885KDM4E 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.