SCHEMBL6654652

SCHEMBL6654652

CCCN(CCC)CCC[C@H](NC(=O)c1ccc(CNCc2nccn2C)cc1)C(=O)NC(C)c1ccc(F)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.46
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 1/20 0.34
USP1 O94782 1/20 0.34
KLKB1 P03952 3/20 0.33
MAPK14 Q16539 2/20 0.33
CHRM2 P08172 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
OPRK1 P41145 1/20 0.32
PADI4 Q9UM07 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CBX4 O00257 1/20 0.31
CBX7 O95931 1/20 0.31
CDYL2 Q8N8U2 1/20 0.31
CBX8 Q9HC52 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL6655464 0.91 CXCR4 (0.56) CXCR4MEN1KMT2AUSP1OPRK1
SCHEMBL6654128 0.86 CXCR4 (0.47) CXCR4MCHR1KLKB1MAPK14CHRM2
SCHEMBL6651549 0.85 CXCR4 (0.39) CXCR4MEN1KMT2AUSP1MAPK14
SCHEMBL6651937 0.84 CXCR4 (0.55) CXCR4KMT2AMAPK14OPRK1
SCHEMBL6657908 0.83 CXCR4 (0.56) CXCR4KMT2AMCHR1OPRK1
SCHEMBL6652413 0.83 CXCR4 (0.54) CXCR4KMT2AMAPK14OPRK1
SCHEMBL6654654 0.82 CXCR4 (0.43) CXCR4MCHR1KLKB1MAPK14CHRM2
SCHEMBL6653532 0.82 CXCR4 (0.54) CXCR4MEN1KMT2AUSP1OPRK1
SCHEMBL6653452 0.81 CXCR4 (0.47) CXCR4MEN1KMT2AOPRK1
SCHEMBL6652095 0.81 CXCR4 (0.60) CXCR4MEN1KMT2AUSP1

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.