SCHEMBL9747267

SCHEMBL9747267

O=[N+]([O-])c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.80
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44
PSMD14 O00487 1/20 0.44
PRKACA P17612 1/20 0.44
CASP6 P55212 1/20 0.44
CYP3A4 P08684 1/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 1/20 0.44
PTPN1 P18031 1/20 0.43
LMNA P02545 1/20 0.43
RCE1 Q9Y256 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGS2 P35354 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
ABCC8 Q09428 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
SCHEMBL14951396 0.84 HPRT1 (0.60) HPRT1ALDH1A1TDP1CRHBPCRHR2
SCHEMBL1767571 0.83 ALDH1A1 (0.63) HPRT1ALDH1A1TDP1CRHBPCRHR2
SCHEMBL29236231 0.80 ALDH1A1 (0.59) HPRT1ALDH1A1TDP1CRHBPCRHR2
SCHEMBL29914892 0.80 HPRT1 (0.59) HPRT1ALDH1A1TDP1CRHBPCRHR2
SCHEMBL31548579 0.80 HPRT1 (0.59) HPRT1TDP1CASP6POLBLMNA
SCHEMBL6934366 0.79 ALDH1A1 (0.58) HPRT1ALDH1A1TDP1CRHBPCRHR2
SCHEMBL28291132 0.78 ALDH1A1 (0.57) HPRT1ALDH1A1TDP1CRHBPCRHR2
SCHEMBL6396044 0.78 ALDH1A1 (0.57) HPRT1ALDH1A1TDP1CRHBPCRHR2
SCHEMBL17459514 0.77 HPRT1 (0.63) HPRT1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL10435064 0.77 HPRT1 (0.53) HPRT1ALDH1A1TDP1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111128567-B Preparation method of organic prelithiation material 中国电子科技集团公司第十八研究所 2022-03-22 CN disclosed
CN-111128567-A Preparation method of organic prelithiation material 中国电子科技集团公司第十八研究所 2020-05-08 CN disclosed
US-20170204091-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR DEVICES LIGHTWAVE LOGIC INC (US) 2017-07-20 US disclosed
US-9575423-B2 Electrophotographic photosensitive member KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2017-02-21 US disclosed
US-9575423-B2 Electrophotographic photosensitive member KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2017-02-21 US disclosed
US-20150253682-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2015-09-10 US disclosed
US-20150253682-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2015-09-10 US disclosed
US-20140121376-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR OPTICAL DEVICES LIGHTWAVE LOGIC, INC. (US) 2014-05-01 US disclosed
US-7894695-B2 Tricyclic spacer systems for nonlinear optical devices LIGHTWAVE LOGIC, INC. 2011-02-22 US disclosed
US-20080009620-A1 Tricyclic Spacer Systems For Nonlinear Optical Devices THIRD-ORDER NANOTECHNOLOGIES, INC. (US) 2008-01-10 US disclosed
US-5151271-A Composites for drug delivery for skin absorption NITTI ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-09-29 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-20080009620-A1 Tricyclic Spacer Systems For Nonlinear Optical Devices AQP4, CCND3, CDK14 HPRT1 3334/4885ALDH1A1 3822/4885TDP1 2599/4885
US-20140121376-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR OPTICAL DEVICES AQP4, CCND3, CDK14 HPRT1 3334/4885ALDH1A1 3822/4885TDP1 2599/4885
US-20170204091-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR DEVICES CCND3, CCNY, CCND2 HPRT1 2829/4885ALDH1A1 3982/4885TDP1 2297/4885

“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.