SCHEMBL668012

SCHEMBL668012

Nc1ccc(C[N+](CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CA1 P00915 18/20 0.39
CA2 P00918 18/20 0.39
CA4 P22748 11/20 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
SCHEMBL2597556 0.87 TDP1 (0.44) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL7367941 0.82 KCNH2 (0.51) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL1230833 0.80 HSD17B10 (0.39) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL5553832 0.79 CA1 (0.46) CA1CA2CA4CA12CA9
Pentetic Acid SCHEMBL9440802 0.79 TDP1 (0.65) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL2057057 0.78 NR1D1 (0.36) CA1CA2CA4
SCHEMBL9878685 0.76 TDP1 (0.52) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL16113686 0.74 TDP1 (0.58) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL7512416 0.70 CA1 (0.71) CA1CA2CA4CA12CA9
SCHEMBL8425241 0.70 MAPT (0.48) TDP1KDM4ELMNACHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US claimed
US-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-09-21 US claimed
US-7029654-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2006-04-18 US claimed
EP-0766968-B1 Diagnostic imaging agent NIHON MEDIPHYSICS CO LTD (JP) 2001-01-17 EP claimed
EP-0766968-A1 Diagnostic imaging agent NIHON MEDI-PHYSICS CO., LTD. (JP) 1997-04-09 EP claimed
EP-2408930-B1 BIOTINIDASE ASSAY WALLAC OY (FI) 2015-05-06 EP disclosed
US-8597903-B2 Biotinidase assay WALLAC OY (FI) 2013-12-03 US disclosed
US-20120045784-A1 BIOTINIDASE ASSAY Joachim Ngiamas trustee for Joachim Ngiam Trust Fund ABN 2012-02-23 US disclosed
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
EP-1613319-B1 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2009-06-03 EP disclosed
US-5342604-A Bone disorders THE DOW CHEMICAL COMPANY (US) 1994-08-30 US disclosed
US-5271929-A Nuclear magnetic resonance imaging agent comprising a di-aldehyde complex NIHON MEDI-PHYSICS CO., LTD. (JP) 1993-12-21 US disclosed
EP-0570022-A2 Chelants possessing ortho ligating functionality and complexes thereof THE DOW CHEMICAL COMPANY (US) 1993-11-18 EP disclosed
EP-0566166-A1 Chelants possessing ortho ligating functionality and complexes thereof THE DOW CHEMICAL COMPANY (a Delaware corporation) (US) 1993-10-20 EP disclosed
EP-0523572-A1 Nuclear magnetic resonance imaging agent NIHON MEDI-PHYSICS CO., LTD. (JP) 1993-01-20 EP disclosed
US-5006643-A Reacting aminofunctional chelates with thiophosgene THE DOW CHEMICAL COMPANY (US) 1991-04-09 US disclosed
WO-1990007342-A1 PROCESS FOR PREPARING ISOTHIOCYANATO FUNCTIONALIZED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1990-07-12 WO disclosed
EP-0367223-A2 Chelants possessing ortho ligating functionality and complexes thereof THE DOW CHEMICAL COMPANY (US) 1990-05-09 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-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 TDP1 1370/4885KDM4E 2184/4885LMNA 2305/4885
US-20120045784-A1 BIOTINIDASE ASSAY BTD, CMBL, JMJD7 TDP1 2853/4885KDM4E 466/4885LMNA 698/4885

“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.