SCHEMBL6018347

SCHEMBL6018347

NCc1cccc2ccccc12.O=C(N[C@@H](CCCN[C@@H]1CCCc2cccnc21)C(=O)O)c1ccc(CNCc2ccccn2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
CXCR4 P61073 11/20 0.36
ADORA2A P29274 1/20 0.33
ITGAV P06756 1/20 0.33
ITGB6 P18564 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRM1 Q13255 1/20 0.32

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
SCHEMBL6018818 1.00 FOLH1 (0.37) FOLH1FNTAFNTBPGGT1BHDAC1
SCHEMBL6990541 1.00 FOLH1 (0.37) FOLH1FNTAFNTBPGGT1BHDAC1
SCHEMBL7150127 0.93 HDAC1 (0.42) FOLH1FNTAFNTBPGGT1BHDAC1
SCHEMBL6018159 0.93 HDAC1 (0.41) FNTAFNTBPGGT1BHDAC1HDAC6
SCHEMBL6946145 0.91 HDAC1 (0.37) FOLH1FNTAFNTBPGGT1BHDAC1
SCHEMBL6018341 0.91 CXCR4 (0.38) FNTAFNTBPGGT1BHDAC1HDAC6
SCHEMBL6018202 0.89 CXCR4 (0.47) FOLH1FNTAFNTBPGGT1BHDAC1
SCHEMBL6018210 0.89 CXCR4 (0.39) FOLH1FNTAFNTBPGGT1BHDAC1
SCHEMBL6018478 0.89 CXCR4 (0.36) FOLH1FNTAFNTBPGGT1BHDAC1
SCHEMBL6019591 0.88 CXCR4 (0.36) FOLH1FNTAFNTBPGGT1BHDAC1

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 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.