SCHEMBL6018027

SCHEMBL6018027

O=C(N[C@@H](CCCNCc1ncc[nH]1)C(=O)NCc1cccc2ccccc12)c1ccc(CNCc2ncc[nH]2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
MCHR1 Q99705 4/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
PADI4 Q9UM07 2/20 0.36
PADI2 Q9Y2J8 2/20 0.36
NTMT1 Q9BV86 1/20 0.36
ANPEP P15144 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 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
SCHEMBL6018195 0.87 CXCR4 (0.46) FOLH1FNTAFNTBPGGT1BMCHR1
SCHEMBL6019439 0.85 SLC40A1 (0.36) FOLH1FNTAFNTBPGGT1BMCHR1
SCHEMBL6018231 0.83 FOLH1 (0.41) FOLH1FNTAFNTBMCHR1CHRNB2
SCHEMBL6018092 0.82 CXCR4 (0.47) FNTAFNTBPGGT1BMCHR1
SCHEMBL6018824 0.82 CXCR4 (0.47) FNTAFNTBPGGT1BMCHR1
SCHEMBL6648799 0.82 FNTA (0.44) FOLH1FNTAFNTBPGGT1BMCHR1
SCHEMBL6019208 0.80 MMP2 (0.42) PADI4PADI2
SCHEMBL6652655 0.80 CXCR4 (0.43) FOLH1FNTAFNTBPGGT1BMCHR1
SCHEMBL6018294 0.80 CXCR4 (0.41) FOLH1FNTAFNTBPGGT1BMCHR1
SCHEMBL6018480 0.80 CXCR4 (0.41) FOLH1FNTAFNTBPGGT1BMCHR1

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 FOLH1 1290/4885FNTA 2279/4885FNTB 950/4885
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound CXCR4, CXCR1, CXCR2 FOLH1 2694/4885FNTA 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.