SCHEMBL6654909

SCHEMBL6654909

COc1cccc(OC)c1CNCCC[C@H](NC(=O)c1ccc(CNCc2ncc[nH]2)cc1)C(=O)N[C@@H](C)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.54
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
BMP1 P13497 2/20 0.39
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
CASR P41180 1/20 0.36
FOLH1 Q04609 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KLKB1 P03952 1/20 0.35
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
NCOR2 Q9Y618 2/20 0.35
HDAC8 Q9BY41 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34

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
SCHEMBL6655131 0.94 CXCR4 (0.54) CXCR4MEN1KMT2AROCK2ROCK1
SCHEMBL6658144 0.93 CXCR4 (0.61) CXCR4BMP1FNTAFNTBPGGT1B
SCHEMBL6652738 0.93 CXCR4 (0.54) CXCR4MEN1KMT2AROCK2ROCK1
SCHEMBL6655091 0.91 CXCR4 (0.53) CXCR4MEN1KMT2AROCK2ROCK1
SCHEMBL6657509 0.90 CXCR4 (0.58) CXCR4BMP1FNTAFNTBPGGT1B
SCHEMBL6657686 0.90 CXCR4 (0.54) CXCR4KMT2AROCK2ROCK1BMP1
SCHEMBL6653773 0.89 CXCR4 (0.53) CXCR4MEN1KMT2AROCK2ROCK1
SCHEMBL6655182 0.89 CXCR4 (0.58) CXCR4BMP1FNTAFNTBPGGT1B
SCHEMBL6655485 0.89 CXCR4 (0.58) CXCR4BMP1FNTAFNTBPGGT1B
SCHEMBL6654539 0.89 CXCR4 (0.54) CXCR4MEN1KMT2AROCK2ROCK1

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 CXCR4 88/4885MEN1 575/4885KMT2A 1751/4885

“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.