SCHEMBL6018396

SCHEMBL6018396

CC(Cc1cccc2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CNCc2nccn2C)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 4/20 0.37
REN P00797 9/20 0.36
CXCR4 P61073 1/20 0.36
FOLH1 Q04609 1/20 0.35
PRKACB P22694 1/20 0.34
MCHR1 Q99705 1/20 0.34
KMT2A Q03164 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 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
SCHEMBL27566358 0.88 TGM2 (0.37) TGM2FOLH1PRKACBMCHR1KMT2A
SCHEMBL6018231 0.86 FOLH1 (0.41) TGM2FOLH1MCHR1PSMB8PSMB5
SCHEMBL6694422 0.82 FOLH1 (0.47) TGM2FOLH1
SCHEMBL6657761 0.79 CXCR4 (0.43) TGM2CXCR4
SCHEMBL6654738 0.79 CXCR4 (0.42) TGM2CXCR4FOLH1KMT2A
SCHEMBL6017976 0.77 CXCR4 (0.61) CXCR4MCHR1
SCHEMBL6651838 0.77 CXCR4 (0.43) TGM2CXCR4
SCHEMBL6018092 0.75 CXCR4 (0.47) CXCR4PRKACBMCHR1
SCHEMBL6018824 0.75 CXCR4 (0.47) CXCR4PRKACBMCHR1
SCHEMBL6018099 0.74 CXCR4 (0.46) TGM2CXCR4FOLH1MCHR1

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 TGM2 988/4885REN 1578/4885CXCR4 2185/4885
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound CXCR4, CXCR1, CXCR2 TGM2 2502/4885REN 2356/4885CXCR4 1/4885

“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.