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SCHEMBL4336852

SCHEMBL4336852

CN(C)[C@@H]1CCN(c2cc(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)c(F)cc2/C=N/NC(N)=S)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ LCK P06239 3/20 0.37
▸ KDR P35968 3/20 0.37
▸ TEK Q02763 3/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ WDR5 P61964 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FPR1 P21462 2/20 0.35
▸ FPR2 P25090 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ PHGDH O43175 2/20 0.35
▸ ALOX12 P18054 1/20 0.34

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
SCHEMBL4336854 1.00 ALDH1A1 (0.41) ALDH1A1LMNALCKKDRTEK
SCHEMBL4329268 0.92 WDR5 (0.37) ALDH1A1LMNACA1CA2CA7
SCHEMBL4329273 0.92 WDR5 (0.37) ALDH1A1LMNACA1CA2CA7
SCHEMBL13894911 0.92 FPR1 (0.36) ALDH1A1LMNALCKKDRTEK
SCHEMBL4326653 0.91 LMNA (0.44) LMNAMAPTKMT2ASMN1; SMN2PHGDH
SCHEMBL4456916 0.91 LMNA (0.44) LMNAMAPTKMT2ASMN1; SMN2PHGDH
SCHEMBL4456918 0.91 LMNA (0.44) LMNAMAPTKMT2ASMN1; SMN2PHGDH
SCHEMBL4326650 0.91 LMNA (0.44) LMNAMAPTKMT2ASMN1; SMN2PHGDH
SCHEMBL4329395 0.91 ALDH1A1 (0.40) ALDH1A1LMNALCKKDRTEK
SCHEMBL4329391 0.91 ALDH1A1 (0.40) ALDH1A1LMNALCKKDRTEK

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 1459/4885LMNA 4884/4885LCK 878/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885LMNA 4885/4885LCK 820/4885

“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.