SCHEMBL4337014

SCHEMBL4337014

NC(=S)N/N=C/c1ccc(N2CCN(Cc3cccnc3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
SRPK1 Q96SB4 2/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
ABCB1 P08183 1/20 0.41
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GNRHR P30968 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
SCHEMBL4337017 1.00 KDM4E (0.46) KDM4EPOLBALDH1A1TDP1SRPK1
SCHEMBL4327274 0.89 ALDH1A1 (0.45) KDM4EPOLBALDH1A1SRPK1HIF1A
SCHEMBL4327267 0.89 ALDH1A1 (0.45) KDM4EPOLBALDH1A1SRPK1HIF1A
SCHEMBL4336689 0.89 ACHE (0.46) KDM4EPOLBALDH1A1LMNAMAPT
SCHEMBL4336685 0.89 ACHE (0.46) KDM4EPOLBALDH1A1LMNAMAPT
SCHEMBL4336834 0.89 ALDH1A1 (0.54) KDM4EPOLBALDH1A1TDP1SRPK1
SCHEMBL4336843 0.89 ALDH1A1 (0.54) KDM4EPOLBALDH1A1TDP1SRPK1
SCHEMBL4341326 0.88 DRD2 (0.51) KDM4EPOLBALDH1A1TDP1DRD2
SCHEMBL4341322 0.88 DRD2 (0.51) KDM4EPOLBALDH1A1TDP1DRD2
SCHEMBL6442533 0.86 ACHE (0.44) KDM4EPOLBALDH1A1SRPK1LMNA

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 5 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

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 3010/4885POLB 3179/4885ALDH1A1 1459/4885

“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.