SCHEMBL4451558

SCHEMBL4451558

FC(F)(F)c1cccc(-c2ccc(C=NNC(=S)NCc3ccccn3)o2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HTT P42858 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 2/20 0.53
HKDC1 Q2TB90 1/20 0.53
MAPT P10636 5/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALOX12 P18054 1/20 0.51
POLB P06746 1/20 0.51
PHGDH O43175 2/20 0.47
PTPN1 P18031 1/20 0.46
PTPN12 Q05209 1/20 0.46
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4451552 1.00 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL4322269 0.88 HKDC1 (0.55) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL4322277 0.88 HKDC1 (0.55) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL4324314 0.86 LMNA (0.56) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL4324320 0.86 LMNA (0.56) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL4331896 0.84 HKDC1 (0.57) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL4331903 0.84 HKDC1 (0.57) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL4343232 0.83 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL4343241 0.83 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL13611582 0.83 ALDH1A1 (0.71) KDM4EALDH1A1MEN1KMT2AHTT

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-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 (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-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KDM4E 2338/4885ALDH1A1 1173/4885MEN1 4872/4885

“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.