SCHEMBL5551391

SCHEMBL5551391

Cc1ccc(C(=O)NCC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
MMP13 P45452 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL5661449 1.00 KMT2A (0.40) KMT2AMEN1LMNAMAPK1NPSR1
SCHEMBL5661441 1.00 KMT2A (0.40) KMT2AMEN1LMNAMAPK1NPSR1
SCHEMBL30729581 0.90 KMT2A (0.45) KMT2AMEN1LMNANPSR1HPGD
SCHEMBL5551396 0.85 HTT (0.42) KMT2AMEN1LMNAMAPK1NPSR1
SCHEMBL5548664 0.82 L3MBTL1 (0.42) KMT2AMEN1LMNAMAPK1NPSR1
SCHEMBL5547987 0.82 ALDH1A1 (0.45) KMT2AMEN1LMNAMAPK1HPGD
SCHEMBL5548668 0.82 L3MBTL1 (0.42) KMT2AMEN1LMNAMAPK1NPSR1
SCHEMBL5661338 0.82 L3MBTL1 (0.42) KMT2AMEN1LMNAMAPK1NPSR1
SCHEMBL5659347 0.82 ALDH1A1 (0.45) KMT2AMEN1LMNAMAPK1HPGD
SCHEMBL5553317 0.79 NPC1 (0.49) HPGDPOLBNPC1TDP1SMN1; SMN2

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-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient MITSUI CHEMICALS, INC. (JP) 2007-10-18 US disclosed
EP-1770085-A1 DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT Mitsui Chemicals, Inc. (JP) 2007-04-04 EP 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-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient DDT, AOC1, QDPR KMT2A 460/4885MEN1 779/4885LMNA 4760/4885

“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.