SCHEMBL4329458

SCHEMBL4329458

NC(=S)N(CCN1CCOCC1)/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
LMNA P02545 4/20 0.44
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC9A1 P19634 1/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 1/20 0.38
KCNH2 Q12809 1/20 0.38
RXRA P19793 1/20 0.38
CASR P41180 1/20 0.38

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
SCHEMBL4329463 1.00 KDM4E (0.48) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL4324411 0.93 KDM4E (0.50) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL4324406 0.93 KDM4E (0.50) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL4334744 0.87 ALDH1A1 (0.52) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL4329090 0.87 ALDH1A1 (0.52) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL4329138 0.84 KDM4E (0.56) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL4329136 0.84 KDM4E (0.56) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL4343477 0.81 KDM4E (0.57) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL4324269 0.80 PRMT1 (0.41) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL4326934 0.76 KDM4E (0.60) KDM4EALDH1A1LMNAKMT2AMAPT

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 1459/4885LMNA 4884/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KDM4E 2338/4885ALDH1A1 1173/4885LMNA 4885/4885

“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.