SCHEMBL6018126

SCHEMBL6018126

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.54
▸ GRIN1 Q05586 4/20 0.54
▸ GRIN2A Q12879 4/20 0.54
▸ GRIA1 P42261 4/20 0.51
▸ KMT2A Q03164 1/20 0.49
▸ CHRNB2 P17787 3/20 0.45
▸ CHRNB4 P30926 3/20 0.45
▸ CHRNA3 P32297 3/20 0.45
▸ CHRNA4 P43681 3/20 0.45
▸ GRM1 Q13255 1/20 0.45
▸ MAPK14 Q16539 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPY1R P25929 2/20 0.42
▸ PADI4 Q9UM07 1/20 0.42
▸ PADI2 Q9Y2J8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 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
SCHEMBL27616554 1.00 CXCR4 (0.54) CXCR4GRIN1GRIN2AGRIA1KMT2A
SCHEMBL6018215 0.91 CXCR4 (0.55) CXCR4KMT2AMAPK14NPC1LMNA
SCHEMBL27566493 0.91 CXCR4 (0.55) CXCR4KMT2AMAPK14NPC1LMNA
SCHEMBL6671573 0.89 CXCR4 (0.51) CXCR4GRIN1GRIN2AGRIA1KMT2A
SCHEMBL6018764 0.86 CXCR4 (0.50) CXCR4KMT2AMAPK14RAB9AALDH1A1
SCHEMBL6019556 0.86 CXCR4 (0.50) CXCR4KMT2AMAPK14RAB9AALDH1A1
SCHEMBL6018244 0.86 CXCR4 (0.51) CXCR4GRIN1GRIN2AKMT2AMAPK14
SCHEMBL6018116 0.85 CXCR4 (0.53) CXCR4KMT2AMAPK14NPC1LMNA
SCHEMBL27566287 0.85 CXCR4 (0.53) CXCR4KMT2AMAPK14NPC1LMNA
SCHEMBL6017927 0.82 CXCR4 (0.49) CXCR4KMT2ANPC1RAB9A

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 2185/4885GRIN1 371/4885GRIN2A 1988/4885

“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.

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