SCHEMBL6654733

SCHEMBL6654733

COc1ccccc1CNCCC[C@H](NC(=O)c1ccc(CNC(C)c2ncc[nH]2)c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CXCR4 P61073 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
TGM2 P21980 1/20 0.36
BMP1 P13497 2/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
FOLH1 Q04609 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33

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
SCHEMBL6651837 0.87 CXCR4 (0.42) CXCR4FNTAFNTBPGGT1BADRA2A
SCHEMBL6657754 0.87 CXCR4 (0.41) CXCR4BMP1FNTAFNTBPGGT1B
SCHEMBL6017968 0.86 CXCR4 (0.44) CXCR4BMP1FNTAFNTBPGGT1B
SCHEMBL6654738 0.84 CXCR4 (0.42) MEN1KMT2ACXCR4TDP1ROCK1
SCHEMBL6651654 0.82 CXCR4 (0.41) CXCR4FNTAFNTBPGGT1BADRA2A
SCHEMBL6655131 0.81 CXCR4 (0.54) MEN1KMT2ACXCR4ROCK2ROCK1
SCHEMBL6653747 0.78 CXCR4 (0.53) CXCR4ROCK2ROCK1BMP1FNTA
SCHEMBL6018824 0.78 CXCR4 (0.47) CXCR4BMP1FNTAFNTBPGGT1B
SCHEMBL6018092 0.78 CXCR4 (0.47) CXCR4BMP1FNTAFNTBPGGT1B
SCHEMBL6019494 0.78 FNTA (0.43) FNTAFNTBPGGT1BFOLH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254221-A1 Novel Nitrogenous Compound and use thereof KUREHA CORPORATION (JP) 2004-12-16 US claimed
EP-1431290-A1 NOVEL NITROGENOUS COMPOUND AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2004-06-23 EP claimed
US-20040254221-A1 Novel Nitrogenous Compound and use thereof KUREHA CORPORATION (JP) 2004-12-16 US disclosed
EP-1431290-A1 NOVEL NITROGENOUS COMPOUND AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2004-06-23 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-20040254221-A1 Novel Nitrogenous Compound and use thereof NGLY1, NOD1, CCR1 MEN1 575/4885KMT2A 1751/4885CXCR4 88/4885

“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.