SCHEMBL25835010

SCHEMBL25835010

CC(C)C(=O)NCCOc1ccc(-c2nnc(C(C)C)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
SMPD1 P17405 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
HDAC8 Q9BY41 3/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
POLB P06746 3/20 0.43
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 5/20 0.41
MAPT P10636 4/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
MTNR1A P48039 2/20 0.39

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
SCHEMBL25856862 0.85 NPC1 (0.49) ALDH1A1SMPD1NR1H4NPC1RAB9A
SCHEMBL26036567 0.85 ALDH1A1 (0.47) ALDH1A1SMPD1NR1H4HDAC8NPC1
SCHEMBL25851802 0.84 ALDH1A1 (0.46) ALDH1A1SMPD1NR1H4HDAC8NPC1
SCHEMBL25834992 0.83 ALDH1A1 (0.46) ALDH1A1SMPD1NR1H4HDAC8NPC1
SCHEMBL25851756 0.83 TP53 (0.50) ALDH1A1SMPD1NR1H4HDAC8NPC1
SCHEMBL25855422 0.82 TP53 (0.55) ALDH1A1NPC1RAB9APOLBKDM4E
SCHEMBL25837137 0.81 TP53 (0.47) ALDH1A1SMPD1NPC1RAB9APOLB
SCHEMBL25839640 0.79 NPC1 (0.45) ALDH1A1SMPD1NR1H4NPC1RAB9A
SCHEMBL25834954 0.77 ATM (0.43) ALDH1A1SMPD1NR1H4HDAC8NPC1
SCHEMBL24340775 0.73 MTNR1A (0.56) ALDH1A1HDAC8NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265429-A1 SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE THEREOF Arrowhead Pharmaceuticals, Inc. 2023-08-24 US disclosed
US-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS Arrowhead Pharmaceuticals, Inc. 2023-07-20 US disclosed
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 (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-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS CPT1B, MUSK, MYLK2 ALDH1A1 1330/4885SMPD1 10/4885NR1H4 296/4885
US-20230265429-A1 SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE THEREOF MUSK, MYLK2, TNNC1 ALDH1A1 2528/4885SMPD1 261/4885NR1H4 2116/4885

“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.