SCHEMBL25855965

SCHEMBL25855965

CCC(C)c1ccc(C(=O)NCCOc2ccc(-c3nnc(SC)o3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
NPC1 O15118 5/20 0.45
ALDH1A1 P00352 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAPT P10636 4/20 0.42
TP53 P04637 3/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMPD1 P17405 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL25837267 0.92 CXCR4 (0.49) CXCR4NPC1ALDH1A1NR1H4MAPT
SCHEMBL25836967 0.88 CXCR4 (0.49) CXCR4NPC1ALDH1A1NR1H4MAPT
SCHEMBL24340636 0.86 NPC1 (0.62) CXCR4NPC1ALDH1A1MAPTTP53
SCHEMBL24340750 0.86 CXCR4 (0.52) CXCR4NPC1ALDH1A1MAPTTP53
SCHEMBL25855971 0.83 ALDH1A1 (0.48) NPC1ALDH1A1NR1H4MAPTTP53
SCHEMBL25837270 0.82 MAPT (0.51) CXCR4NPC1ALDH1A1NR1H4MAPT
SCHEMBL26034651 0.81 ALDH1A1 (0.47) NPC1ALDH1A1NR1H4MAPTTP53
SCHEMBL25851802 0.81 ALDH1A1 (0.46) CXCR4NPC1ALDH1A1NR1H4MAPT
SCHEMBL26034373 0.80 NPC1 (0.49) NPC1ALDH1A1NR1H4MAPTTP53
SCHEMBL24340586 0.80 MTNR1A (0.52) CXCR4NPC1ALDH1A1MAPTTP53

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-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

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 CXCR4 3027/4885NPC1 561/4885ALDH1A1 1330/4885
US-20230265429-A1 SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE THEREOF MUSK, MYLK2, TNNC1 CXCR4 609/4885NPC1 3878/4885ALDH1A1 2528/4885

“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.