SCHEMBL6018843

SCHEMBL6018843

NCc1cccc2ccccc12.O=C(N[C@@H](CCCNCc1c[nH]cn1)C(=O)O)c1ccc(CNCc2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.51
FOLH1 Q04609 2/20 0.41
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
PGGT1B P53609 2/20 0.36
CASR P41180 1/20 0.36
TGM2 P21980 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TPSAB1 Q15661 1/20 0.36
DHFR P00374 4/20 0.35
TYMS P04818 1/20 0.35
FPGS Q05932 4/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
MAPK14 Q16539 1/20 0.35
KMT2A Q03164 1/20 0.34
GPR132 Q9UNW8 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
SCHEMBL6689563 0.96 FOLH1 (0.45) CXCR4FOLH1FNTAFNTBPGGT1B
SCHEMBL6018262 0.93 CXCR4 (0.57) CXCR4FOLH1FNTAFNTBPGGT1B
SCHEMBL6018567 0.89 CXCR4 (0.54) CXCR4FOLH1FNTAFNTBPGGT1B
SCHEMBL6018854 0.89 CXCR4 (0.51) CXCR4FOLH1FNTAFNTBPGGT1B
SCHEMBL6018749 0.88 CXCR4 (0.51) CXCR4FOLH1FNTAFNTBPGGT1B
SCHEMBL6018470 0.88 CXCR4 (0.51) CXCR4FOLH1FNTAFNTBPGGT1B
SCHEMBL6018497 0.88 CXCR4 (0.52) CXCR4FOLH1FNTAFNTBPGGT1B
SCHEMBL6018129 0.87 CXCR4 (0.51) CXCR4FOLH1FNTAFNTBPGGT1B
SCHEMBL6018574 0.87 CXCR4 (0.51) CXCR4FOLH1FNTAFNTBPGGT1B
SCHEMBL6018386 0.86 CXCR4 (0.48) CXCR4FOLH1TGM2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US disclosed
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound KUREHA CORPORATION (JP) 2004-08-12 US disclosed
US-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same KUREHA CORPORATION (JP) 2004-05-13 US disclosed
EP-1389460-A1 CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND Kureha Chemical Industry Co., Ltd. (JP) 2004-02-18 EP disclosed
EP-1273571-A1 NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME Kureha Chemical Industry Co., Ltd. (JP) 2003-01-08 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 (2 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-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same NSUN2, ZC3HAV1L, PNP CXCR4 2185/4885FOLH1 1290/4885FNTA 2279/4885
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound CXCR4, CXCR1, CXCR2 CXCR4 1/4885FOLH1 2694/4885FNTA 3116/4885

“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.