SCHEMBL4329347

SCHEMBL4329347

NC(=S)N/N=C/c1ccc(N2CCCN(Cc3ccccc3)CC2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
DRD4 P21917 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CASP3 P42574 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
BACE1 P56817 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
SCHEMBL4329352 1.00 MAPK1 (0.44) MAPK1HTTCA1CA2CA7
SCHEMBL4330730 0.89 ALDH1A1 (0.46) MAPK1HTTCA1CA2CA7
SCHEMBL4330727 0.89 ALDH1A1 (0.46) MAPK1HTTCA1CA2CA7
SCHEMBL4339011 0.88 MAPT (0.46) CA1CA2CA7CA9DRD4
SCHEMBL4339014 0.88 MAPT (0.46) CA1CA2CA7CA9DRD4
SCHEMBL4341742 0.87 POLB (0.41) MAPK1HTTCA1CA2CA7
SCHEMBL4341748 0.87 POLB (0.41) MAPK1HTTCA1CA2CA7
SCHEMBL4326403 0.87 DRD2 (0.45) MAPK1HTTCA1CA2CA7
SCHEMBL4326407 0.87 DRD2 (0.45) MAPK1HTTCA1CA2CA7
SCHEMBL4331660 0.86 KDM4E (0.52) MAPK1CA1CA2CA7CA9

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 6 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-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 MAPK1 2656/4885HTT 2994/4885CA1 4212/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAPK1 2876/4885HTT 3282/4885CA1 4236/4885

“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.