SCHEMBL25837270

SCHEMBL25837270

CSc1ccc(C(=O)NCCOc2ccc(-c3nnc(SC(C)C)o3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 5/20 0.46
TP53 P04637 2/20 0.44
CXCR4 P61073 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
SMPD1 P17405 1/20 0.41
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 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 0.90 ALDH1A1 (0.48) MAPTALDH1A1NPC1TP53CXCR4
SCHEMBL25855971 0.90 ALDH1A1 (0.48) MAPTALDH1A1NPC1TP53NR1H4
SCHEMBL25837267 0.85 CXCR4 (0.49) MAPTALDH1A1NPC1TP53CXCR4
SCHEMBL25836967 0.85 CXCR4 (0.49) MAPTALDH1A1NPC1TP53CXCR4
SCHEMBL25837025 0.84 TP53 (0.51) MAPTALDH1A1NPC1TP53NR1H4
SCHEMBL24340636 0.83 NPC1 (0.62) MAPTALDH1A1NPC1TP53CXCR4
SCHEMBL24340750 0.83 CXCR4 (0.52) MAPTALDH1A1NPC1TP53CXCR4
SCHEMBL25851756 0.83 TP53 (0.50) MAPTALDH1A1NPC1TP53NR1H4
SCHEMBL26034651 0.82 ALDH1A1 (0.47) MAPTALDH1A1NPC1TP53NR1H4
SCHEMBL25855965 0.82 CXCR4 (0.47) MAPTALDH1A1NPC1TP53CXCR4

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 MAPT 3973/4885ALDH1A1 1330/4885NPC1 561/4885

“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.