SCHEMBL4336328

SCHEMBL4336328

CN(C)[C@@H]1CCN(c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)c(F)cc2/C=N/NC(N)=S)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.42
PHGDH O43175 1/20 0.40
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RBP4 P02753 1/20 0.36
MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL4336331 1.00 TRPV1 (0.42) TRPV1PHGDHDPP4DPP7GAA
SCHEMBL4336711 0.91 MAOB (0.39) PHGDHGAARBP4
SCHEMBL4336707 0.91 MAOB (0.39) PHGDHGAARBP4
SCHEMBL4328256 0.87 PHGDH (0.44) TRPV1PHGDHGAANPC1RAB9A
SCHEMBL4328259 0.87 PHGDH (0.44) TRPV1PHGDHGAANPC1RAB9A
SCHEMBL4327443 0.85 MAOB (0.44) GAA
SCHEMBL4327449 0.85 MAOB (0.44) GAA
SCHEMBL4331101 0.85 MAOB (0.37) RBP4
SCHEMBL4331104 0.85 MAOB (0.37) RBP4
SCHEMBL4330708 0.84 MAOB (0.40) GAA

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 TRPV1 1040/4885PHGDH 2500/4885DPP4 347/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 TRPV1 728/4885PHGDH 2768/4885DPP4 174/4885

“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.