SCHEMBL6018092

SCHEMBL6018092

C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CNCc2ncc[nH]2)c2ccccc12)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
BMP1 P13497 2/20 0.38
EPHX2 P34913 2/20 0.36
PRKACB P22694 1/20 0.36
METAP2 P50579 2/20 0.35
METAP1 P53582 2/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL6018824 1.00 CXCR4 (0.47) CXCR4FNTAFNTBPGGT1BBMP1
SCHEMBL6017968 0.89 CXCR4 (0.44) CXCR4FNTAFNTBPGGT1BBMP1
SCHEMBL6017976 0.88 CXCR4 (0.61) CXCR4FNTAFNTBPGGT1BBMP1
SCHEMBL6648799 0.87 FNTA (0.44) FNTAFNTBPGGT1BPRKACBMCHR1
SCHEMBL6653556 0.86 CXCR4 (0.42) CXCR4FNTAFNTBPGGT1BBMP1
SCHEMBL6018027 0.82 FOLH1 (0.44) FNTAFNTBPGGT1BMCHR1
SCHEMBL6017899 0.82 PRKACB (0.43) PRKACB
SCHEMBL6018048 0.81 MCHR1 (0.38) FNTAFNTBPGGT1BPRKACBMCHR1
SCHEMBL6658144 0.80 CXCR4 (0.61) CXCR4FNTAFNTBPGGT1BBMP1
SCHEMBL6653628 0.79 CXCR4 (0.56) CXCR4FNTAFNTBPGGT1BBMP1

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-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-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 2185/4885FNTA 2279/4885FNTB 950/4885
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound CXCR4, CXCR1, CXCR2 CXCR4 1/4885FNTA 3116/4885FNTB 2515/4885

“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.