SCHEMBL559523

SCHEMBL559523

[N-]=[N+]=CC(=O)Cc1ccc(I)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.36
TPMT P51580 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL16835972 0.81 ALDH1A1 (0.48) TGM2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11515828 0.81 NPC1 (0.43) TGM2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5682297 0.81 CYP2C9 (0.53) TGM2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL559896 0.77 PIK3CA (0.45) CYP1A2ALDH1A1RXRARXRBMEN1
SCHEMBL559841 0.77 HTT (0.53) CYP2C19ALDH1A1HTTKMT2A
SCHEMBL560200 0.76 TPMT (0.38) TPMTRXRARXRBCA1CA2
SCHEMBL18827662 0.75 TPMT (0.37) TPMTRXRARXRBCA1CA2
SCHEMBL9080204 0.73 CYP2C9 (0.39) TGM2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9080214 0.73 CYP2C9 (0.39) TGM2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28605102 0.71 ALDH1A1 (0.61) CYP1A2CYP2C9CYP2C19ALDH1A1TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9645128-B2 Substituted imidazo[1,2-A]pyrazines for measuring a transcription activity JNC CORPORATION (JP) 2017-05-09 US disclosed
US-9645128-B2 Substituted imidazo[1,2-A]pyrazines for measuring a transcription activity JNC CORPORATION (JP) 2017-05-09 US disclosed
US-20150344936-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-12-03 US disclosed
US-20150344936-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-12-03 US disclosed
US-9151739-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2015-10-06 US disclosed
US-9151739-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2015-10-06 US disclosed
US-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF JNC CORP (JP) 2014-10-02 US disclosed
US-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF JNC CORP (JP) 2014-10-02 US disclosed
US-8765921-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2014-07-01 US disclosed
US-8765921-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2014-07-01 US disclosed
US-20140024058-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2014-01-23 US disclosed
US-20140024058-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2014-01-23 US disclosed
US-8546568-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2013-10-01 US disclosed
US-8546568-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2013-10-01 US disclosed
US-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-09 US disclosed
US-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-09 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 (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-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF GLB1, CEL, SI TGM2 351/4885CYP1A2 149/4885CYP2C9 135/4885
US-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF GLB1, CEL, SI TGM2 351/4885CYP1A2 149/4885CYP2C9 135/4885

“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.