SCHEMBL21778550

SCHEMBL21778550

CC(=O)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2c4c(ccc2[nH]1)N(C(=O)c1cc2c5c(ccc2[nH]1)N(C(N)=O)CC5)CC4)CC3

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HRH4 Q9H3N8 9/20 0.39
SIRT1 Q96EB6 1/20 0.38
GAA P10253 1/20 0.37
BAZ2B Q9UIF8 2/20 0.37
NOTUM Q6P988 1/20 0.35

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
SCHEMBL889850 0.95 SIRT1 (0.41) POLBHRH4SIRT1GAABAZ2B
SCHEMBL12901870 0.91 NOTUM (0.45) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL889826 0.89 KMT2A (0.40) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL13183213 0.88 POLB (0.40) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL889973 0.88 RAB9A (0.43) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL18165247 0.88 PLG (0.40) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL887593 0.85 NOTUM (0.49) BAZ2BNOTUM
SCHEMBL22048825 0.84 RAB9A (0.38) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL887712 0.84 KDM4E (0.43) POLBMEN1KMT2ASIRT1GAA
SCHEMBL889800 0.83 RAB9A (0.40) RAB9APOLBNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040137-A1 Oligonucleotide Conjugation Process ROCHE INNOVATION CENTER COPENHAGEN A/S (CH) 2021-02-11 US disclosed
US-10577388-B2 Oligonucleotide conjugation process ROCHE INNOVATION CENTER COPENHAGEN A/S (CH) 2020-03-03 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-20210040137-A1 Oligonucleotide Conjugation Process POLN, POLI, DCLRE1B RAB9A 4007/4885POLB 4/4885NPC1 2247/4885
US-10577388-B2 Oligonucleotide conjugation process POLN, POLI, DCLRE1B RAB9A 4007/4885POLB 4/4885NPC1 2247/4885

“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.