SCHEMBL4322277

SCHEMBL4322277

Fc1cccc(-c2ccc(C=NNC(=S)NCc3ccccn3)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.55
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
LMNA P02545 2/20 0.53
ALOX12 P18054 1/20 0.53
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 2/20 0.52
PHGDH O43175 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
EYA2 O00167 1/20 0.47
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4322269 1.00 HKDC1 (0.55) HKDC1ALDH1A1HPGDLMNAALOX12
SCHEMBL4331896 0.92 HKDC1 (0.57) HKDC1ALDH1A1HPGDLMNAALOX12
SCHEMBL4331903 0.92 HKDC1 (0.57) HKDC1ALDH1A1HPGDLMNAALOX12
SCHEMBL4324320 0.89 LMNA (0.56) HKDC1ALDH1A1HPGDLMNAALOX12
SCHEMBL4324314 0.89 LMNA (0.56) HKDC1ALDH1A1HPGDLMNAALOX12
SCHEMBL4451558 0.88 KDM4E (0.57) HKDC1ALDH1A1HPGDLMNAALOX12
SCHEMBL4451552 0.88 KDM4E (0.57) HKDC1ALDH1A1HPGDLMNAALOX12
SCHEMBL4329322 0.86 HKDC1 (0.54) HKDC1ALDH1A1HPGDLMNAALOX12
SCHEMBL4464598 0.86 HKDC1 (0.54) HKDC1ALDH1A1HPGDLMNAALOX12
SCHEMBL4464609 0.86 HKDC1 (0.54) HKDC1ALDH1A1HPGDLMNAALOX12

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 HKDC1 1857/4885ALDH1A1 1459/4885HPGD 1646/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 HKDC1 2089/4885ALDH1A1 1173/4885HPGD 1495/4885

“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.