SCHEMBL25836967

SCHEMBL25836967

CSc1nnc(-c2ccc(OCCNC(=O)c3ccc(C(=O)C(C)C)cc3)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.49
NPC1 O15118 7/20 0.47
ALDH1A1 P00352 2/20 0.44
NR1H4 Q96RI1 1/20 0.44
SMPD1 P17405 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 3/20 0.41
RAB9A P51151 4/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 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
SCHEMBL25836975 0.91 ALDH1A1 (0.48) CXCR4NPC1ALDH1A1NR1H4SMPD1
SCHEMBL26034373 0.90 NPC1 (0.49) NPC1ALDH1A1NR1H4MAPTTP53
SCHEMBL25837267 0.90 CXCR4 (0.49) CXCR4NPC1ALDH1A1NR1H4SMPD1
SCHEMBL24340636 0.89 NPC1 (0.62) CXCR4NPC1ALDH1A1MAPTTP53
SCHEMBL24340750 0.89 CXCR4 (0.52) CXCR4NPC1ALDH1A1MAPTTP53
SCHEMBL25855965 0.88 CXCR4 (0.47) CXCR4NPC1ALDH1A1NR1H4SMPD1
SCHEMBL25856862 0.86 NPC1 (0.49) NPC1ALDH1A1NR1H4SMPD1RAB9A
SCHEMBL25851802 0.86 ALDH1A1 (0.46) CXCR4NPC1ALDH1A1NR1H4SMPD1
SCHEMBL26036435 0.85 NPC1 (0.48) NPC1NR1H4SMPD1MAPTRAB9A
SCHEMBL25837270 0.85 MAPT (0.51) CXCR4NPC1ALDH1A1NR1H4SMPD1

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.