SCHEMBL4456916

SCHEMBL4456916

CN(C)[C@@H]1CCN(c2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(F)cc2/C=N/NC(N)=S)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
XBP1 P17861 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PHGDH O43175 7/20 0.38
SERPINE1 P05121 2/20 0.38
RAB9A P51151 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37

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
SCHEMBL4456918 1.00 LMNA (0.44) LMNAMAPTHTTSMN1; SMN2ALOX12
SCHEMBL4326653 1.00 LMNA (0.44) LMNAMAPTHTTSMN1; SMN2ALOX12
SCHEMBL4326650 1.00 LMNA (0.44) LMNAMAPTHTTSMN1; SMN2ALOX12
SCHEMBL4326941 0.91 MAOB (0.41) LMNAMAPTHTTSMN1; SMN2ALOX12
SCHEMBL4324347 0.91 LMNA (0.42) LMNAMAPTHTTSMN1; SMN2ALOX12
SCHEMBL4324344 0.91 LMNA (0.42) LMNAMAPTHTTSMN1; SMN2ALOX12
SCHEMBL4336325 0.91 MAOB (0.41) LMNAMAPTHTTSMN1; SMN2ALOX12
SCHEMBL4336852 0.91 ALDH1A1 (0.41) LMNAMAPTSMN1; SMN2ALOX12KMT2A
SCHEMBL4336854 0.91 ALDH1A1 (0.41) LMNAMAPTSMN1; SMN2ALOX12KMT2A
SCHEMBL4457797 0.90 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2ALOX12KMT2A

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-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 LMNA 4884/4885MAPT 3619/4885HTT 2994/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 LMNA 4885/4885MAPT 3876/4885HTT 3282/4885

“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.