Sugi Predict

Sugi Predict / Compounds / SCHEMBL4104161

SCHEMBL4104161

SCHEMBL4104161

NCCNC[C@@H](N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.49
▸ CHRM2 P08172 1/20 0.48
▸ DPP4 P27487 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.43
▸ MC4R P32245 1/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ MMP2 P08253 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL6523856 1.00 LOXL2 (0.49) LOXL2CHRM2DPP4DPP7MC4R
SCHEMBL4092879 1.00 LOXL2 (0.49) LOXL2CHRM2DPP4DPP7MC4R
Hydrochloric Acid SCHEMBL2511528 0.99 LOXL2 (0.47) LOXL2CHRM2DPP4DPP7MC4R
Hydrochloric Acid SCHEMBL2511527 0.99 LOXL2 (0.47) LOXL2CHRM2DPP4DPP7MC4R
SCHEMBL12793699 0.94 CHRM2 (0.49) LOXL2CHRM2DPP4DPP7MC4R
SCHEMBL17848993 0.89 LOXL2 (0.44) LOXL2CHRM2DPP4DPP7MC4R
SCHEMBL8829958 0.87 LOXL2 (0.50) LOXL2CHRM2MC4RIDO1MMP2
SCHEMBL3779820 0.85 CHRM2 (0.44) LOXL2CHRM2DPP4DPP7IDO1
SCHEMBL5099679 0.84 LOXL2 (0.47) LOXL2CHRM2MC4RIDO1MMP2
SCHEMBL28541344 0.84 LOXL2 (0.47) LOXL2CHRM2MC4RIDO1MMP2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004642-B1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-07-26 — — EP disclosed
US-9386938-B2 Methods for collagen imaging Collagen Medical, LLC (US) 2016-07-12 — — US disclosed
US-9040626-B2 Nanofibers and morphology shifting micelles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-26 — — US disclosed
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 — — US disclosed
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 — — US disclosed
US-20120149843-A1 NANOFIBERS AND MORPHOLOGY SHIFTING MICELLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-14 — — US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 — — US disclosed
US-8034898-B2 Methods of collagen imaging Collagen Medical, LLC (US) 2011-10-11 — — US disclosed
US-8034898-B2 Methods of collagen imaging Collagen Medical, LLC (US) 2011-10-11 — — US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 — — US disclosed
EP-2004642-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (Canada) Inc. (CA) 2008-12-24 — — EP disclosed
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. 2008-03-06 — — US disclosed
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. 2008-03-06 — — US disclosed
US-20080044360-A1 METHODS OF COLLAGEN IMAGING EPIX PHARMACEUTICALS, INC. 2008-02-21 — — US disclosed
US-20080044360-A1 METHODS OF COLLAGEN IMAGING EPIX PHARMACEUTICALS, INC. 2008-02-21 — — US disclosed
US-20070293656-A1 COLLAGEN BINDING PEPTIDES EPIX PHARMACEUTICALS, INC. 2007-12-20 — — US disclosed
US-20070293656-A1 COLLAGEN BINDING PEPTIDES EPIX PHARMACEUTICALS, INC. 2007-12-20 — — US disclosed
WO-2007104135-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (CANADA) INC. (CA) 2007-09-20 — — WO disclosed
WO-2007084264-A2 METHODS FOR MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. (US) 2007-07-26 — — WO 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 (6 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-20120149843-A1 NANOFIBERS AND MORPHOLOGY SHIFTING MICELLES MFAP1, LGALS4, TLN1 LOXL2 3341/4885CHRM2 2380/4885DPP4 2865/4885
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING FABP3, TNNI3, TNNT2 LOXL2 1542/4885CHRM2 3081/4885DPP4 470/4885
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents LPXN, FCGRT, POLQ LOXL2 1497/4885CHRM2 344/4885DPP4 4606/4885
US-20080044360-A1 METHODS OF COLLAGEN IMAGING COL14A1, COL2A1, COL1A1 LOXL2 663/4885CHRM2 4446/4885DPP4 1395/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 LOXL2 1957/4885CHRM2 293/4885DPP4 4610/4885
US-20070293656-A1 COLLAGEN BINDING PEPTIDES COL14A1, COL2A1, COL1A1 LOXL2 1066/4885CHRM2 4600/4885DPP4 1641/4885

“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.