SCHEMBL23869878

SCHEMBL23869878

CN(CCc1nnc(-c2ncccn2)nn1)C(=O)CCC(C)(C)OCCC(C)(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.33
CYP2D6 P10635 1/20 0.33
PPARA Q07869 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23897412 0.91 NPC1 (0.34) NPC1POLBRAB9ABLMCYP2D6
SCHEMBL23869881 0.76 NPC1 (0.41) NPC1POLBRAB9ABLMCYP2D6
SCHEMBL23869876 0.72 NPC1 (0.34) NPC1POLBRAB9A
SCHEMBL19963501 0.65 NAALAD2 (0.44) CYP2D6PPARAMEN1KMT2AHIF1A
SCHEMBL23854636 0.65 MCHR1 (0.49) NPC1RAB9ACYP2D6MEN1KMT2A
SCHEMBL23869882 0.62 SMN1; SMN2 (0.43) KMT2A
SCHEMBL25113352 0.61 ACLY (0.37) PPARATDP1
SCHEMBL25497339 0.60 GBA1 (0.43) NPC1POLBRAB9A
SCHEMBL23074633 0.59 ACLY (0.36) PPARATDP1
SCHEMBL21011730 0.59 ACLY (0.36) PPARATDP1

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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL NPC1 1523/4885POLB 4302/4885RAB9A 3663/4885

“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.