SCHEMBL6018764

SCHEMBL6018764

CCCCOCCCNC(=O)[C@H](CCCNCc1ccccn1)NC(=O)c1ccc(CNCc2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.43
PLG P00747 1/20 0.42
MAPK14 Q16539 4/20 0.42
TLR2 O60603 1/20 0.42
MEN1 O00255 1/20 0.41
CTSK P43235 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6019556 1.00 CXCR4 (0.50) CXCR4HPGDHSD17B10KMT2AALDH1A1
SCHEMBL27568576 0.87 CXCR4 (0.47) CXCR4HPGDHSD17B10KMT2AALDH1A1
SCHEMBL6667469 0.87 CXCR4 (0.47) CXCR4HPGDHSD17B10KMT2AALDH1A1
SCHEMBL6018215 0.87 CXCR4 (0.55) CXCR4HPGDHSD17B10KMT2AALDH1A1
SCHEMBL27566493 0.87 CXCR4 (0.55) CXCR4HPGDHSD17B10KMT2AALDH1A1
SCHEMBL6018126 0.86 CXCR4 (0.54) CXCR4KMT2AALDH1A1MAPK14RAB9A
SCHEMBL27616554 0.86 CXCR4 (0.54) CXCR4KMT2AALDH1A1MAPK14RAB9A
SCHEMBL6018244 0.85 CXCR4 (0.51) CXCR4HPGDHSD17B10KMT2AALDH1A1
SCHEMBL6019226 0.84 CXCR4 (0.51) CXCR4HPGDHSD17B10KMT2AALDH1A1
SCHEMBL6018116 0.81 CXCR4 (0.53) CXCR4KMT2AALDH1A1MAPK14L3MBTL1

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 3 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-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 (1 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 CXCR4 2185/4885HPGD 2047/4885HSD17B10 3102/4885

“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.