SCHEMBL4329136

SCHEMBL4329136

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.45
SLC9A1 P19634 1/20 0.44
NPC1 O15118 1/20 0.43
RXRA P19793 1/20 0.41
PRMT1 Q99873 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL4329138 1.00 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4343477 0.89 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4324411 0.86 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4324406 0.86 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4335498 0.85 PRMT1 (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4329463 0.84 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4329458 0.84 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4341461 0.84 MAPT (0.49) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4341464 0.84 MAPT (0.49) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4326934 0.83 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2AMAPT

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 KDM4E 3010/4885ALDH1A1 1459/4885MEN1 4874/4885
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.