SCHEMBL6400172

SCHEMBL6400172

C=CCN(C)CC=CCOc1ccc2c(c1)CCCN2C(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.39
TP53 P04637 4/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2C P28335 5/20 0.38
HTR2A P28223 4/20 0.38
HTR2B P41595 4/20 0.38
SLC2A1 P11166 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6398665 0.88 MAPT (0.44) LSSTP53MAPTMEN1KMT2A
SCHEMBL6404222 0.86 MAPT (0.54) LSSTP53THRBLMNAMAPT
SCHEMBL5639831 0.86 MEN1 (0.47) LSSTP53THRBMAPTMEN1
SCHEMBL5639827 0.86 MEN1 (0.47) LSSTP53THRBMAPTMEN1
SCHEMBL6400044 0.85 MAPT (0.43) LSSTP53MAPTMEN1KMT2A
SCHEMBL6399950 0.85 LSS (0.54) LSSTP53MAPTMEN1KMT2A
SCHEMBL6398639 0.84 FLT1 (0.48) LSSTP53LMNAMAPTMEN1
SCHEMBL6429144 0.84 FLT1 (0.48) LSSTP53LMNAMAPTMEN1
SCHEMBL6397095 0.83 LSS (0.42) LSSTP53LMNAMAPTMEN1
SCHEMBL6405881 0.81 TP53 (0.45) LSSTP53LMNAMAPTMEN1

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-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 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-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 LSS 2358/4885TP53 2660/4885THRB 4330/4885

“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.