SCHEMBL25837137

SCHEMBL25837137

CCC(C)Sc1nnc(-c2ccc(OCCNC(=O)C(C)C)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.47
MAPT P10636 4/20 0.46
RXFP1 Q9HBX9 3/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMPD1 P17405 1/20 0.41

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
SCHEMBL25851756 0.91 TP53 (0.50) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL25855422 0.88 TP53 (0.55) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL25851802 0.87 ALDH1A1 (0.46) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL25836944 0.81 TP53 (0.49) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL25837025 0.81 TP53 (0.51) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL25835010 0.81 ALDH1A1 (0.48) TP53MAPTNPC1RAB9AALDH1A1
SCHEMBL25834992 0.78 ALDH1A1 (0.46) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL25836975 0.77 ALDH1A1 (0.48) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL26034490 0.75 TP53 (0.58) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL26036567 0.75 ALDH1A1 (0.47) TP53MAPTNPC1RAB9AALDH1A1

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 4012/4885MAPT 3973/4885RXFP1 3075/4885

“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.