SCHEMBL4339949

SCHEMBL4339949

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3c(F)cccc3Cl)CC2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.44
MAOB P27338 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
RCE1 Q9Y256 1/20 0.44
CYP2A13 Q16696 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.39
CACNA1G O43497 5/20 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
SCHEMBL4339952 1.00 PHGDH (0.44) PHGDHMAOBTDP1LMNAMAPT
SCHEMBL4323953 0.96 LMNA (0.43) PHGDHMAOBTDP1LMNAMAPT
SCHEMBL4323951 0.96 LMNA (0.43) PHGDHMAOBTDP1LMNAMAPT
SCHEMBL4336569 0.96 MAOB (0.43) PHGDHMAOBTDP1LMNAMAPT
SCHEMBL4336566 0.96 MAOB (0.43) PHGDHMAOBTDP1LMNAMAPT
SCHEMBL4331768 0.93 ALDH1A1 (0.48) MAOBTDP1LMNAMAPTALDH1A1
SCHEMBL4331762 0.93 ALDH1A1 (0.48) MAOBTDP1LMNAMAPTALDH1A1
SCHEMBL4325107 0.88 MAOB (0.45) PHGDHMAOBTDP1LMNAMAPT
SCHEMBL4327626 0.88 TDP1 (0.43) PHGDHMAOBTDP1LMNAMAPT
SCHEMBL4327622 0.88 TDP1 (0.43) PHGDHMAOBTDP1LMNAMAPT

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 PHGDH 2500/4885MAOB 2762/4885TDP1 3626/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PHGDH 2768/4885MAOB 3093/4885TDP1 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.