SCHEMBL5566965

SCHEMBL5566965

COC(=O)c1cc([N+](=O)[O-])c2cc(C#N)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.45
PLAU P00749 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.41
LCK P06239 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ABCB1 P08183 1/20 0.39
GAA P10253 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PKM P14618 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
MAOA P21397 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
SCHEMBL5561042 0.83 VCAM1 (0.49) VCAM1MAPTKMT2AALDH1A1ABCB1
SCHEMBL5775744 0.79 NCEH1 (0.47) PLAUMAPTKDM4EKMT2ALCK
SCHEMBL5776609 0.79 PLAU (0.46) PLAUMAPTKDM4EKMT2ALCK
SCHEMBL5777843 0.79 PLAU (0.46) PLAUMAPTKDM4EKMT2ALCK
SCHEMBL8312949 0.76 NCEH1 (0.44) PLAUMAPTKDM4EKMT2ALCK
SCHEMBL7345962 0.76 PLAU (0.46) PLAUMAPTKDM4EKMT2ALCK
SCHEMBL1888359 0.76 VCAM1 (0.53) VCAM1MAPTKMT2AMEN1
SCHEMBL5566033 0.75 PLAU (0.64) PLAUMAPTKMT2ALCKMEN1
SCHEMBL23619741 0.75 TRPV4 (0.43) PLAUMAPTKDM4EKMT2ALCK
SCHEMBL30812891 0.75 TRPV4 (0.43) PLAUMAPTKDM4EKMT2ALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
EP-1276722-B1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LAB (US) 2006-03-08 EP disclosed
US-20050143317-A1 Compounds and methods for treatment of thrombosis EXITHERA PHARMACEUTICALS LLC 2005-06-30 US disclosed
WO-2004103270-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES LLC (US) 2004-12-02 WO disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 WO disclosed
EP-1276722-A1 NAPHTHAMIDINE UROKINASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
US-6504031-B1 Enzyme inhibitor such as 6-(2-(1-isopropyl-1,2,3,4-tetrahydro -7-isoquinolinyl)ethenyl)-2-naphthalenecarboximidamide, used as angiogenesis inhibitors; antiarthritic, antiinflammatory and antitumor agents ABBOTT LABORATORIES 2003-01-07 US disclosed
US-6495562-B1 SUCH AS 6-(2-(4,4-DIETHYL-1-ISOPROPYL-3,4-DIHYDRO-6-ISOQUINOLINYL)CYCLOPROPYL)-2 -NAPHTHALENECARBOXIMIDAMIDE ABBOTT LABORATORIES 2002-12-17 US disclosed
WO-2001081314-A1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 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 (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-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B VCAM1 211/4885PLAU 28/4885MAPT 4843/4885

“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.