SCHEMBL25720363

SCHEMBL25720363

CNc1ccccc1NCc1ccc(CN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
GLS O94925 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
AKT1 P31749 2/20 0.38
RIPK1 Q13546 1/20 0.37
ABCC1 P33527 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL25720330 0.85 KCNQ4 (0.40) HTR2CSLC6A4RIPK1MEN1KMT2A
SCHEMBL25720359 0.83 MAPT (0.53) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7190668 0.78 RIPK1 (0.57) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL8139552 0.76 CYP2C9 (0.46) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL23448763 0.75 HRH3 (0.44) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL23274094 0.74 HDAC3 (0.47) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL2229917 0.74 MTOR (0.48) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL25546128 0.74 HSP90AA1 (0.43) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL1935308 0.74 PPARG (0.46) CTSLCTSBCTSSHDAC3HDAC1
SCHEMBL7430459 0.73 RIPK1 (0.59) HTR2CSLC6A4RIPK1KMT2AALDH1A1

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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 CTSL 560/4885CTSB 1146/4885CTSS 2131/4885

“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.