SCHEMBL4329142

SCHEMBL4329142

NC(=S)NN=Cc1ccc(N2CCN(Cc3cccnc3)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
GFER P55789 1/20 0.46
POLB P06746 1/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
DRD4 P21917 1/20 0.45
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KHK P50053 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL4329154 1.00 KDM4E (0.46) KDM4EGFERPOLBDRD2DRD3
SCHEMBL4329372 0.90 THRB (0.45) GFERPOLBMAPTMAPK1SMN1; SMN2
SCHEMBL4329368 0.90 THRB (0.45) GFERPOLBMAPTMAPK1SMN1; SMN2
SCHEMBL4331128 0.90 DRD2 (0.48) DRD2DRD3DRD4MAPTMAPK1
SCHEMBL4331135 0.90 DRD2 (0.48) DRD2DRD3DRD4MAPTMAPK1
SCHEMBL4334791 0.89 KDM4E (0.48) KDM4EGFERPOLBDRD2DRD3
SCHEMBL4334793 0.89 KDM4E (0.48) KDM4EGFERPOLBDRD2DRD3
SCHEMBL4329338 0.87 ALDH1A1 (0.49) KDM4EDRD2DRD3DRD4MAPT
SCHEMBL4329336 0.87 ALDH1A1 (0.49) KDM4EDRD2DRD3DRD4MAPT
SCHEMBL4331660 0.87 KDM4E (0.52) KDM4EGFERPOLBDRD2DRD3

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 3 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-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 3010/4885GFER 540/4885POLB 3179/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KDM4E 2338/4885GFER 417/4885POLB 3934/4885

“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.