SCHEMBL25836944

SCHEMBL25836944

CCC(=O)NCCOc1ccc(-c2nnc(SC(C)C)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
RXFP1 Q9HBX9 3/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.45
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMPD1 P17405 1/20 0.43
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL25837025 0.89 TP53 (0.51) TP53RXFP1MAPTPKMSMN1; SMN2
SCHEMBL25851756 0.88 TP53 (0.50) TP53RXFP1MAPTHTTPKM
SCHEMBL25836975 0.83 ALDH1A1 (0.48) TP53RXFP1MAPTPKMSMN1; SMN2
SCHEMBL25855971 0.83 ALDH1A1 (0.48) TP53MAPTSMN1; SMN2POLBTSHR
SCHEMBL25837270 0.82 MAPT (0.51) TP53RXFP1MAPTSMN1; SMN2POLB
SCHEMBL25837137 0.81 TP53 (0.47) TP53RXFP1MAPTPKMKDM4E
SCHEMBL25834864 0.81 TP53 (0.42) TP53RXFP1MAPTPOLBTSHR
SCHEMBL25855422 0.79 TP53 (0.55) TP53RXFP1MAPTPKMKDM4E
SCHEMBL25851802 0.78 ALDH1A1 (0.46) TP53RXFP1MAPTKDM4EPOLB
SCHEMBL25839775 0.78 RECQL (0.47) TP53RXFP1MAPTHTTRECQL

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-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS Arrowhead Pharmaceuticals, Inc. 2023-07-20 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-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS CPT1B, MUSK, MYLK2 TP53 4012/4885RXFP1 3075/4885MAPT 3973/4885

“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.