SCHEMBL25836397

SCHEMBL25836397

CC(C)Sc1nnc(-c2ccc(CCCNC(=O)C(C)C)cc2)o1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MTNR1A P48039 7/20 0.45
MTNR1B P49286 7/20 0.45
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
THRB P10828 1/20 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
SCHEMBL25851756 0.81 TP53 (0.50) KMT2APOLBTSHRTP53NPC1
SCHEMBL25851802 0.73 ALDH1A1 (0.46) POLBTSHRTP53LMNANPC1
SCHEMBL25834824 0.73 TP53 (0.52) KMT2ACYP2D6CYP2C9CYP2C19POLB
SCHEMBL25837137 0.72 TP53 (0.47) KMT2APOLBTSHRTP53NPC1
SCHEMBL25837025 0.71 TP53 (0.51) KMT2AMTNR1AMTNR1BPOLBTSHR
SCHEMBL25855422 0.70 TP53 (0.55) CYP2C19POLBTP53LMNANPC1
SCHEMBL25836944 0.70 TP53 (0.49) KMT2APOLBTSHRTP53NPC1
SCHEMBL13396879 0.69 KMT2A (1.00) KMT2ACYP2D6CYP2C9CYP2C19MTNR1A
SCHEMBL25836975 0.68 ALDH1A1 (0.48) KMT2APOLBTSHRTP53NPC1
SCHEMBL20622932 0.68 NPC1 (0.50) KMT2ACYP2C19POLBTSHRTP53

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 KMT2A 1603/4885CYP2D6 2467/4885CYP2C9 4268/4885

“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.