SCHEMBL22044592

SCHEMBL22044592

CC(C)C(=O)NCCNCCN=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
USP2 O75604 1/20 0.38
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.32
HTT P42858 1/20 0.31
ERCC1 P07992 1/20 0.31
ERCC4 Q92889 1/20 0.31
RECQL P46063 1/20 0.31
SPR P35270 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL22045040 0.88 KMT2A (0.42) KMT2ACYP2C19TSHRCYP2D6CYP2C9
SCHEMBL12948853 0.80 KMT2A (0.47) KMT2ACYP2C19TSHRCYP2D6CYP2C9
SCHEMBL12131751 0.78 USP2 (0.55) KMT2ACYP2C19TSHRCYP2D6CYP2C9
SCHEMBL13650271 0.78 USP2 (0.46) KMT2ACYP2C19TSHRCYP2D6CYP2C9
SCHEMBL22171087 0.78 KMT2A (0.46) KMT2ACYP2C19TSHRCYP2D6CYP2C9
SCHEMBL16384387 0.78 TSHR (0.41) KMT2ACYP2C19TSHRCYP2D6CYP2C9
SCHEMBL12522545 0.78 PAOX (0.45) KMT2ACYP2C19TSHRCYP2D6CYP2C9
SCHEMBL12204444 0.76 CA12 (0.46) KMT2ACYP2C19TSHRCYP2D6CYP2C9
SCHEMBL13784031 0.76 CA12 (0.46) KMT2ACYP2C19TSHRCYP2D6CYP2C9
SCHEMBL17170006 0.76 CA12 (0.46) KMT2ACYP2C19TSHRCYP2D6CYP2C9

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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 US disclosed
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-04 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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 KMT2A 2615/4885CYP2C19 4553/4885TSHR 107/4885
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 KMT2A 2615/4885CYP2C19 4553/4885TSHR 107/4885

“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.