SCHEMBL13611593

SCHEMBL13611593

CNC(=S)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.69
ALDH1A1 P00352 5/20 0.69
MAPT P10636 7/20 0.67
NPC1 O15118 3/20 0.67
PKM P14618 2/20 0.67
RAB9A P51151 1/20 0.67
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
HPGD P15428 2/20 0.62
HTT P42858 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
LMNA P02545 5/20 0.61
POLB P06746 3/20 0.60
TDP1 Q9NUW8 2/20 0.56
HSP90AA1 P07900 1/20 0.56
APEX1 P27695 1/20 0.56
ALOX12 P18054 1/20 0.53
PTPN1 P18031 2/20 0.51
PTPN12 Q05209 1/20 0.51

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
SCHEMBL4331131 1.00 KDM4E (0.69) KDM4EALDH1A1MAPTNPC1PKM
SCHEMBL13611582 0.88 ALDH1A1 (0.71) KDM4EALDH1A1MAPTNPC1PKM
SCHEMBL4343479 0.88 ALDH1A1 (0.71) KDM4EALDH1A1MAPTNPC1PKM
SCHEMBL3490823 0.86 KDM4E (0.79) KDM4EALDH1A1MAPTNPC1PKM
SCHEMBL30460578 0.86 KDM4E (0.79) KDM4EALDH1A1MAPTNPC1PKM
SCHEMBL3490822 0.86 KDM4E (0.79) KDM4EALDH1A1MAPTNPC1PKM
SCHEMBL4324304 0.85 KDM4E (0.64) KDM4EALDH1A1MAPTNPC1PKM
SCHEMBL4335476 0.85 KDM4E (0.64) KDM4EALDH1A1MAPTNPC1PKM
SCHEMBL4335479 0.85 KDM4E (0.64) KDM4EALDH1A1MAPTNPC1PKM
SCHEMBL4324298 0.85 KDM4E (0.64) KDM4EALDH1A1MAPTNPC1PKM

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 4 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

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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KDM4E 3010/4885ALDH1A1 1459/4885MAPT 3619/4885

“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.