SCHEMBL6438701

SCHEMBL6438701

CCN(CC)c1ccc(C=O)c(OCc2ccc(F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
BACE1 P56817 3/20 0.49
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CCR5 P51681 1/20 0.42
CA9 Q16790 2/20 0.42
PTPN1 P18031 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3218793 0.88 ALDH1A1 (0.68) ALDH1A1L3MBTL1BACE1LMNAMAPT
SCHEMBL3200550 0.88 ALDH1A1 (0.63) ALDH1A1L3MBTL1BACE1MAPTPOLB
SCHEMBL3200647 0.86 ALDH1A1 (0.58) ALDH1A1L3MBTL1BACE1LMNAMAPT
SCHEMBL5146907 0.82 ALDH1A1 (0.74) ALDH1A1L3MBTL1BACE1LMNAMAPT
SCHEMBL1219328 0.81 FFAR1 (0.51) ALDH1A1BACE1LMNAMAPTPOLB
SCHEMBL1219325 0.80 LMNA (0.43) ALDH1A1BACE1LMNAMAPTPOLB
SCHEMBL1219324 0.80 LMNA (0.43) ALDH1A1BACE1LMNAMAPTPOLB
SCHEMBL3220878 0.79 ALDH1A1 (0.55) ALDH1A1L3MBTL1BACE1LMNACA9
SCHEMBL15062110 0.79 MAPT (0.42) ALDH1A1L3MBTL1BACE1LMNAMAPT
SCHEMBL14712980 0.79 ALDH1A1 (0.70) ALDH1A1L3MBTL1BACE1LMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885L3MBTL1 3686/4885BACE1 4638/4885

“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.