SCHEMBL4329645

SCHEMBL4329645

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
KDM4E B2RXH2 4/20 0.63
LMNA P02545 3/20 0.63
NPSR1 Q6W5P4 5/20 0.60
ALDH1A1 P00352 4/20 0.60
HPGD P15428 3/20 0.60
ALOX12 P18054 2/20 0.60
HTT P42858 1/20 0.57
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CTSL P07711 1/20 0.53
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL4329651 1.00 MAPT (0.63) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL4329561 0.86 MAPT (0.66) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL4329565 0.86 MAPT (0.66) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL4336697 0.85 MAPT (0.67) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL4336700 0.85 MAPT (0.67) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL4335502 0.84 ALDH1A1 (0.52) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL4335497 0.84 ALDH1A1 (0.52) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL30460578 0.83 KDM4E (0.79) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL3490822 0.83 KDM4E (0.79) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL3490823 0.83 KDM4E (0.79) MAPTMEN1KMT2AKDM4ELMNA

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 7 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-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 MAPT 3619/4885MEN1 4874/4885KMT2A 3988/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAPT 3876/4885MEN1 4872/4885KMT2A 3714/4885

“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.