SCHEMBL19962020

SCHEMBL19962020

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2snnc2c1)c1ccc2c(c1)N=NC2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32

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
SCHEMBL19969116 0.91 MAPT (0.38) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL19969110 0.91 MAPT (0.38) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL19962138 0.87 MAPT (0.40) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL18180271 0.75 SYK (0.31)
SCHEMBL19969198 0.75 SYK (0.31)
SCHEMBL18171816 0.75 MAPT (0.43) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL18180315 0.75 ALDH1A1 (0.39) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL19962072 0.73 ALDH1A1 (0.32) NPC1MAPTRAB9A
SCHEMBL19962156 0.72 PSMB5 (0.35) MEN1KMT2A
SCHEMBL19969154 0.72 PSMB5 (0.35) MEN1KMT2A

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E MEN1 4064/4885NPC1 273/4885LMNA 3382/4885

“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.