SCHEMBL6652671

SCHEMBL6652671

CCC(CC)NCCC[C@H](NC(=O)c1ccc(CNCc2nccn2C)s1)C(=O)N[C@@H](C)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.44
HDAC3 O15379 1/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
METAP2 P50579 5/20 0.35
METAP1 P53582 5/20 0.35
MITF O75030 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
TGM2 P21980 1/20 0.33
CNR2 P34972 2/20 0.33
OPRK1 P41145 1/20 0.33
BMP1 P13497 2/20 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
SCHEMBL6654506 0.87 CXCR4 (0.44) CXCR4HDAC3CYP2C9HDAC1HDAC6
SCHEMBL6657761 0.86 CXCR4 (0.43) CXCR4METAP2METAP1MITFOPRM1
SCHEMBL6652669 0.82 CXCR4 (0.42) CXCR4HDAC3CYP2C9HDAC1HDAC6
SCHEMBL6652095 0.80 CXCR4 (0.60) CXCR4METAP2METAP1TGM2BMP1
SCHEMBL6652792 0.78 CXCR4 (0.58) CXCR4METAP2METAP1TGM2BMP1
SCHEMBL6655464 0.75 CXCR4 (0.56) CXCR4METAP2METAP1OPRM1OPRD1
SCHEMBL6655019 0.74 CXCR4 (0.56) CXCR4METAP2METAP1TGM2
SCHEMBL6655038 0.74 CXCR4 (0.54) CXCR4METAP2METAP1TGM2BMP1
SCHEMBL6656191 0.74 CXCR4 (0.54) CXCR4METAP2METAP1TGM2BMP1
SCHEMBL6654738 0.73 CXCR4 (0.42) CXCR4TGM2CNR2BMP1

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 88/4885HDAC3 1711/4885CYP2C9 863/4885

“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.