SCHEMBL4329259

SCHEMBL4329259

NC(=S)NN=Cc1cc(F)c(N2CC[C@@H](NCc3ccccc3C(F)(F)F)C2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
HMOX1 P09601 1/20 0.35
CYP2C9 P11712 4/20 0.34
EPHX2 P34913 4/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
GLS O94925 1/20 0.34
HTR1A P08908 1/20 0.33
WDR5 P61964 1/20 0.33
SLC9A1 P19634 1/20 0.33

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
SCHEMBL4324291 1.00 MAOB (0.40) MAOBSIGMAR1TMEM97HMOX1CYP2C9
SCHEMBL4329255 1.00 MAOB (0.40) MAOBSIGMAR1TMEM97HMOX1CYP2C9
SCHEMBL13611870 1.00 MAOB (0.40) MAOBSIGMAR1TMEM97HMOX1CYP2C9
SCHEMBL4324287 1.00 MAOB (0.40) MAOBSIGMAR1TMEM97HMOX1CYP2C9
SCHEMBL4326985 0.90 MAOB (0.46) MAOBSIGMAR1TMEM97KDM4EGAA
SCHEMBL4326990 0.90 MAOB (0.46) MAOBSIGMAR1TMEM97KDM4EGAA
SCHEMBL4325230 0.90 MAOB (0.46) MAOBSIGMAR1TMEM97KDM4EGAA
SCHEMBL4331977 0.90 MAOB (0.46) MAOBSIGMAR1TMEM97KDM4EGAA
SCHEMBL4340441 0.88 TMEM97 (0.42) MAOBSIGMAR1TMEM97CYP2C9KDM4E
SCHEMBL4338115 0.88 TMEM97 (0.42) MAOBSIGMAR1TMEM97CYP2C9KDM4E

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 MAOB 2762/4885SIGMAR1 948/4885TMEM97 784/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885SIGMAR1 776/4885TMEM97 720/4885

“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.