SCHEMBL25836975

SCHEMBL25836975

CC(C)Sc1nnc(-c2ccc(OCCNC(=O)c3ccc(C(=O)C(C)C)cc3)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 7/20 0.46
TP53 P04637 3/20 0.45
NR1H4 Q96RI1 1/20 0.43
SMPD1 P17405 1/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 4/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CXCR4 P61073 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 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
SCHEMBL25836967 0.91 CXCR4 (0.49) ALDH1A1NPC1TP53NR1H4SMPD1
SCHEMBL25855971 0.90 ALDH1A1 (0.48) ALDH1A1NPC1TP53NR1H4SMPD1
SCHEMBL25837270 0.90 MAPT (0.51) ALDH1A1NPC1TP53NR1H4SMPD1
SCHEMBL26034373 0.90 NPC1 (0.49) ALDH1A1NPC1TP53NR1H4POLB
SCHEMBL25851756 0.86 TP53 (0.50) ALDH1A1NPC1TP53NR1H4SMPD1
SCHEMBL25856862 0.85 NPC1 (0.49) ALDH1A1NPC1NR1H4SMPD1POLB
SCHEMBL25837025 0.85 TP53 (0.51) ALDH1A1NPC1TP53NR1H4SMPD1
SCHEMBL26036435 0.84 NPC1 (0.48) NPC1NR1H4SMPD1POLBRAB9A
SCHEMBL25836944 0.83 TP53 (0.49) ALDH1A1NPC1TP53NR1H4SMPD1
SCHEMBL25834824 0.82 TP53 (0.52) ALDH1A1NPC1TP53NR1H4POLB

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 ALDH1A1 1330/4885NPC1 561/4885TP53 4012/4885

“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.