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Sugi Predict / Compounds / SCHEMBL4331677

SCHEMBL4331677

SCHEMBL4331677

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.47
▸ PKM P14618 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ HTT P42858 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RRM2 P31350 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL4331682 1.00 TYR (0.47) TYRPKMSIGMAR1HTTMEN1
SCHEMBL4325211 0.91 PKM (0.52) PKMMEN1KMT2AMAPTPOLB
SCHEMBL4325216 0.91 PKM (0.52) PKMMEN1KMT2AMAPTPOLB
SCHEMBL4341389 0.90 PKM (0.46) TYRPKMMEN1KMT2AMAPT
SCHEMBL4341386 0.90 PKM (0.46) TYRPKMMEN1KMT2AMAPT
SCHEMBL4324032 0.89 TYR (0.49) TYRPKMSIGMAR1HTTMEN1
SCHEMBL4324030 0.89 TYR (0.49) TYRPKMSIGMAR1HTTMEN1
SCHEMBL4331008 0.88 PKM (0.48) PKMSIGMAR1HTTKMT2AMAPT
SCHEMBL4331009 0.88 PKM (0.48) PKMSIGMAR1HTTKMT2AMAPT
SCHEMBL4344407 0.88 POLB (0.48) TYRPKMHTTKMT2AMAPT

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 TYR 1808/4885PKM 4105/4885SIGMAR1 948/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 TYR 2113/4885PKM 4038/4885SIGMAR1 776/4885

“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.