SCHEMBL1678682

SCHEMBL1678682

O=CN1CCNCCN(C=O)CCN(C=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CHKA P35790 1/20 0.37
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
ADRB1 P08588 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL8467 0.97
SCHEMBL930605 0.97
SCHEMBL10578128 0.97 CA2 (0.35) CA2CHKAHSD17B10CA12CA1
SCHEMBL12671511 0.97 CA2 (0.35) CA2CHKAHSD17B10CA12CA1
SCHEMBL24672240 0.94 HIF1A (0.35) CA2CHKAHSD17B10CA12CA1
Hydrochloric Acid SCHEMBL17560377 0.94 CA2 (0.33) CA2CHKAHSD17B10CA12CA1
SCHEMBL472206 0.94 HIF1A (0.35) CA2CHKAHSD17B10CA12CA1
Hydrochloric Acid SCHEMBL1739117 0.94
SCHEMBL3881127 0.94 CA2 (0.33) CA2CHKAHSD17B10CA12CA1
SCHEMBL16667767 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981953-B1 Contrast agent precursor and method for preparing the same Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2018-05-29 US disclosed
US-9981953-B1 Contrast agent precursor and method for preparing the same Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2018-05-29 US disclosed
US-7928096-B2 Polydiazeniumdiolated cyclic polyamines with polyphasic nitric oxide release and related compounds, compositions comprising same and methods of using same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-04-19 US disclosed
US-20090068248-A1 POLYDIAZENIUMDIOLATED CYCLIC POLYAMINES WITH POLYPHASIC NITRIC OXIDE RELEASE AND RELATED COMPOUNDS, COMPOSITIONS COMPRISING SAME AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HE (US) 2009-03-12 US disclosed
US-7468435-B2 Polydiazeniumdiolated cyclic polyamines with polyphasic nitric oxide release and related compounds, compositions comprising same and methods of using same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-12-23 US disclosed
US-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives THERAPHARM GMBH (CH) 2008-12-18 US disclosed
US-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives THERAPHARM GMBH (CH) 2008-12-18 US disclosed
US-20050148566-A1 Polydiazeniumdiolated cyclic polyamines with polyphasic nitric oxide release and related compounds, compositions comprising same and methods of using same THE GOVERNMENT OF THE USA, AS REP. BY THE SECRETARY, DEPT. OF HEALTH & HUMAN SERVICES (US) 2005-07-07 US 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 (3 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-20090068248-A1 POLYDIAZENIUMDIOLATED CYCLIC POLYAMINES WITH POLYPHASIC NITRIC OXIDE RELEASE AND RELATED COMPOUNDS, COMPOSITIONS COMPRISING SAME AND METHODS OF USING SAME NOS2, ARG2, NOS1 CA2 179/4885CHKA 2019/4885HSD17B10 3974/4885
US-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives POLI, PARP1, DHPS CA2 4117/4885CHKA 3127/4885HSD17B10 1028/4885
US-20050148566-A1 Polydiazeniumdiolated cyclic polyamines with polyphasic nitric oxide release and related compounds, compositions comprising same and methods of using same NOS2, ARG2, NOS1 CA2 179/4885CHKA 2019/4885HSD17B10 3974/4885

“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.