SCHEMBL6018048

SCHEMBL6018048

CCCCCCCCCCCCCCCCNc1ccc(CNC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(CNCc3ncc[nH]3)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
PADI4 Q9UM07 6/20 0.36
PADI2 Q9Y2J8 5/20 0.36
PRKACB P22694 1/20 0.36
TLR2 O60603 1/20 0.35
NPY1R P25929 2/20 0.35
MAPK14 Q16539 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
KLKB1 P03952 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 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
SCHEMBL6648799 0.84 FNTA (0.44) MCHR1FNTAFNTBPGGT1BPADI4
SCHEMBL6647951 0.83 PRKACB (0.37) MCHR1FNTAFNTBPGGT1BPADI4
SCHEMBL6018092 0.81 CXCR4 (0.47) MCHR1FNTAFNTBPGGT1BPRKACB
SCHEMBL6017899 0.81 PRKACB (0.43) PADI4PADI2PRKACB
SCHEMBL6018824 0.81 CXCR4 (0.47) MCHR1FNTAFNTBPGGT1BPRKACB
SCHEMBL6018027 0.78 FOLH1 (0.44) MCHR1FNTAFNTBPGGT1BPADI4
SCHEMBL6655004 0.72 MEN1 (0.41) HDAC3HDAC1HDAC2
SCHEMBL6018782 0.72 NMBR (0.48) PADI4PADI2
SCHEMBL6789479 0.72 FNTA (0.41) FNTAFNTBPGGT1BPADI4PADI2
SCHEMBL6018195 0.71 CXCR4 (0.46) MCHR1FNTAFNTBPGGT1BPADI4

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 MCHR1 3377/4885FNTA 2279/4885FNTB 950/4885
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound CXCR4, CXCR1, CXCR2 MCHR1 1057/4885FNTA 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.