SCHEMBL4464598

SCHEMBL4464598

Fc1ccc(-c2ccc(/C=N/NC(=S)NCc3ccccn3)o2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.54
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.45
PHGDH O43175 2/20 0.44
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
EYA2 O00167 1/20 0.40
TOP2A P11388 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4464609 1.00 HKDC1 (0.54) HKDC1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4329322 0.93 HKDC1 (0.54) HKDC1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4329330 0.93 HKDC1 (0.54) HKDC1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4322277 0.86 HKDC1 (0.55) HKDC1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4322269 0.86 HKDC1 (0.55) HKDC1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4331896 0.86 HKDC1 (0.57) HKDC1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4331903 0.86 HKDC1 (0.57) HKDC1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4338698 0.83 HKDC1 (0.58) HKDC1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4338706 0.83 HKDC1 (0.58) HKDC1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4330991 0.82 HKDC1 (0.55) HKDC1MAPTALDH1A1HPGDLMNA

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 6 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-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-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 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 HKDC1 1857/4885MAPT 3619/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 HKDC1 2089/4885MAPT 3876/4885ALDH1A1 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.