SCHEMBL6653580

SCHEMBL6653580

C[C@H](NC(=O)[C@H](CCCN1CCCCCC1)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.72
CASR P41180 4/20 0.41
MAPK14 Q16539 1/20 0.41
CCR4 P51679 2/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
BCHE P06276 1/20 0.37
PPARG P37231 1/20 0.37
METAP2 P50579 2/20 0.37
METAP1 P53582 2/20 0.37
HDAC1 Q13547 1/20 0.36
ACKR3 P25106 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL6657595 0.88 CXCR4 (0.56) CXCR4CASRCCR4FNTAFNTB
SCHEMBL6655134 0.88 CXCR4 (0.56) CXCR4CASRCCR4FNTAFNTB
SCHEMBL6653508 0.88 CXCR4 (0.56) CXCR4CASRCCR4FNTAFNTB
SCHEMBL6653854 0.87 CXCR4 (0.56) CXCR4CASRCCR4FNTAFNTB
SCHEMBL6656486 0.84 CXCR4 (0.74) CXCR4CASRMAPK14FNTAFNTB
SCHEMBL6656081 0.84 CXCR4 (0.74) CXCR4CASRMAPK14FNTAFNTB
SCHEMBL29580087 0.84 CXCR4 (1.00) CXCR4
SCHEMBL6654961 0.84 CXCR4 (0.74) CXCR4CASRMAPK14FNTAFNTB
SCHEMBL4076464 0.84 CXCR4 (0.78) CXCR4CASRMAPK14METAP2METAP1
SCHEMBL6652769 0.82 CXCR4 (0.74) CXCR4CASRMAPK14FNTAFNTB

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 88/4885CASR 4811/4885MAPK14 1865/4885

“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.