SCHEMBL559896

SCHEMBL559896

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SRD5A2 P31213 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CNR2 P34972 2/20 0.40
NLRP3 Q96P20 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL15228997 0.83 RXRA (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5050701 0.79 PIK3CA (0.50) PIK3CAHDAC1HDAC8PSEN1PSEN2
SCHEMBL11515828 0.77 NPC1 (0.43) PIK3CACNR2MEN1ALDH1A1HTT
SCHEMBL559523 0.77 TGM2 (0.40) RXRARXRBMEN1ALDH1A1HTT
SCHEMBL16835972 0.77 ALDH1A1 (0.48) MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL18827711 0.77 PIK3CA (0.49) PIK3CAHDAC1HDAC8PSEN1PSEN2
Water SCHEMBL17802302 0.77 PIK3CA (0.49) PIK3CAHDAC1HDAC8PSEN1PSEN2
SCHEMBL5682297 0.77 CYP2C9 (0.53) HDAC8CES2CES1MEN1ALDH1A1
SCHEMBL27939842 0.74 PIK3CA (0.53) PIK3CAHDAC1HDAC8PSEN1PSEN2
SCHEMBL4305804 0.74 PIK3CA (0.56) PIK3CAHDAC1HDAC8PSEN1PSEN2

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 PIK3CA 4212/4885HDAC1 396/4885HDAC8 3206/4885
US-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF GLB1, CEL, SI PIK3CA 4212/4885HDAC1 396/4885HDAC8 3206/4885

“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.