SCHEMBL6017948

SCHEMBL6017948

Cn1c(CNCCC[C@H](NC(=O)c2ccc(CNCc3nc4ccccc4n3C)cc2)C(=O)NCc2cccc3ccccc23)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 2/20 0.43
CXCR4 P61073 1/20 0.42
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
MCHR1 Q99705 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FOLH1 Q04609 1/20 0.39
CCKBR P32239 1/20 0.38

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
SCHEMBL6018132 0.94 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC6CXCR4
SCHEMBL6018099 0.85 CXCR4 (0.46) HDAC1HDAC3HDAC2CXCR4MCHR1
SCHEMBL6018284 0.83 HDAC3 (0.47) HDAC1HDAC3HDAC2CXCR4MCHR1
SCHEMBL6690573 0.82 HDAC1 (0.40) HDAC1HDAC6CXCR4RECQLGAA
SCHEMBL6019671 0.82 CXCR4 (0.49) HDAC1HDAC6CXCR4GAAMAPT
SCHEMBL6018133 0.81 CXCR4 (0.43) HDAC1HDAC3HDAC2CXCR4MCHR1
SCHEMBL6017944 0.80 CXCR4 (0.47) HDAC1HDAC3HDAC2CXCR4MCHR1
SCHEMBL6018480 0.79 CXCR4 (0.41) HDAC1HDAC3HDAC2CXCR4MCHR1
SCHEMBL6018294 0.79 CXCR4 (0.41) HDAC1HDAC3HDAC2CXCR4MCHR1
SCHEMBL6018195 0.79 CXCR4 (0.46) HDAC1HDAC3HDAC2CXCR4MCHR1

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 HDAC1 651/4885HDAC3 2307/4885HDAC2 1538/4885
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound CXCR4, CXCR1, CXCR2 HDAC1 1092/4885HDAC3 1135/4885HDAC2 1895/4885

“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.