Sugi Predict

Sugi Predict / Compounds / SCHEMBL673078

SCHEMBL673078

SCHEMBL673078

O=[N+]([O-])c1cc(CN2CCCNCCNCCCNCC2)cc(CN2CCCNCCNCCCNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 12/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ CHRM2 P08172 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ ADRA2C P18825 1/20 0.59
▸ CCR2 P41597 1/20 0.59
▸ CXCL12 P48061 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.59
▸ KCNJ1 P48048 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ KHK P50053 1/20 0.43
▸ SIGMAR1 Q99720 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
Bromide SCHEMBL1258514 0.97 CXCR4 (0.57) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL7752079 0.86 CXCR4 (0.72) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL9621043 0.83 CXCR4 (0.67) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL4021524 0.81 CXCR4 (0.65) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL21648051 0.78 KCNJ1 (0.46) MEN1KMT2ATDP1KCNJ1KCNH2
SCHEMBL5334337 0.78 KCNJ1 (0.70) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL29531890 0.77 ALDH1A1 (0.65) MEN1KMT2ATDP1KCNJ1KCNH2
SCHEMBL2657985 0.77 ALDH1A1 (0.65) MEN1KMT2ATDP1KCNJ1KCNH2
SCHEMBL674945 0.76 CXCR4 (0.75) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL626660 0.76 KCNJ1 (0.72) CXCR4MEN1CHRM2CHRM1ADRA2C

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161859-A1 USE OF CXCR4 ANTAGONISTS University of Washington Center for Commercialization 2021-06-03 — — US claimed
US-20150030561-A1 Use of CXCR4 Antagonists GENZYME CORP. (US) 2015-01-29 — — US claimed
EP-2709991-A1 USE OF CXCR4 ANTAGONISTS Genzyme Corporation (US) 2014-03-26 — — EP claimed
WO-2012158707-A1 USE OF CXCR4 ANTAGONISTS GENZYME CORPORATION (US) 2012-11-22 — — WO claimed
EP-2391211-A1 METHODS AND COMPOSITIONS FOR TREATING BREAST CANCER Genzyme Corporation (US) 2011-12-07 — — EP claimed
US-20110280827-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES HU YANPING (US) 2011-11-17 — — US claimed
US-20110281814-A1 METHODS AND COMPOSITIONS FOR TREATING BREAST CANCER GENZYME CORPORATION 2011-11-17 — — US claimed
EP-2384115-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES Genzyme Corporation (US) 2011-11-09 — — EP claimed
US-7935692-B2 Methods to mobilize progenitor/stem cells GENZYME CORPORATION (US) 2011-05-03 — — US claimed
US-RE42152-E1 Aromatic-linked polyamine macrocyclic compounds with anti-HIV activity GENZYME CORPORATION (US) 2011-02-15 — — US claimed
WO-2010088398-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES GENZYME CORPORATION (US) 2010-08-05 — — WO claimed
WO-2010088401-A1 METHODS AND COMPOSITIONS FOR TREATING BREAST CANCER GENZYME CORPORATION (US) 2010-08-05 — — WO claimed
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION GENZYME CORPORATION 2010-02-11 — — US claimed
WO-2008109076-A1 METHODS FOR ENHANCING THE EFFICACY OF VASCULAR DISRUPTING AGENTS OXIGENE, INC. (US) 2008-09-12 — — WO claimed
US-20080214509-A1 Methods for enhancing the efficacy of vascular disrupting agents OXIGENE, INC. 2008-09-04 — — US claimed
EP-0619813-B1 LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV ANORMED INC (CA) 2004-08-18 — — EP claimed
JP-3375961-B2 — — 2003-02-10 — — JP claimed
US-5583131-A FOR TREATMENT OR PREVENTION OF ACQUIRED IMMUNE DEFICIENCY SYNDROME, REDUCED TOXICITY JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1996-12-10 — — US claimed
EP-0619813-A1 LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1994-10-19 — — EP claimed
WO-1993012096-A1 LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1993-06-24 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20080214509-A1 Methods for enhancing the efficacy of vascular disrupting agents CXCL12, CXCR4, CXCR2 CXCR4 2/4885MEN1 2440/4885CHRM2 2830/4885
US-20210161859-A1 USE OF CXCR4 ANTAGONISTS CXCR4, CXCR2, CXCR3 CXCR4 1/4885MEN1 3707/4885CHRM2 1420/4885
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION CCR2, CXCR4, CXCR2 CXCR4 2/4885MEN1 4046/4885CHRM2 600/4885
US-20150030561-A1 Use of CXCR4 Antagonists CXCR4, CXCR2, CXCR3 CXCR4 1/4885MEN1 3707/4885CHRM2 1420/4885

“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.