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SCHEMBL4336834

SCHEMBL4336834

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ KMT2A Q03164 2/20 0.45
▸ PLEC Q15149 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ CASP4 P49662 1/20 0.42
▸ CASP5 P51878 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40

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
SCHEMBL4336843 1.00 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1KMT2APLEC
SCHEMBL4341322 0.90 DRD2 (0.51) ALDH1A1KDM4ETDP1KMT2AABCB1
SCHEMBL4341326 0.90 DRD2 (0.51) ALDH1A1KDM4ETDP1KMT2AABCB1
SCHEMBL4331496 0.89 KDM4E (0.48) ALDH1A1KDM4ETDP1KMT2APLEC
SCHEMBL4331492 0.89 KDM4E (0.48) ALDH1A1KDM4ETDP1KMT2APLEC
SCHEMBL4331444 0.89 THRB (0.44) ALDH1A1KDM4ETDP1CASP1CASP4
SCHEMBL4331448 0.89 THRB (0.44) ALDH1A1KDM4ETDP1CASP1CASP4
SCHEMBL4331638 0.89 ACHE (0.48) ALDH1A1L3MBTL1MAOBPOLBPKM
SCHEMBL4331636 0.89 ACHE (0.48) ALDH1A1L3MBTL1MAOBPOLBPKM
SCHEMBL4337017 0.89 KDM4E (0.46) ALDH1A1KDM4ETDP1KMT2AABCB1

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 ALDH1A1 1459/4885KDM4E 3010/4885TDP1 3626/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885KDM4E 2338/4885TDP1 3689/4885

“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.