SCHEMBL14925518

SCHEMBL14925518

CCO/C=N/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 9/20 0.37
MAPT P10636 5/20 0.37
KDM4E B2RXH2 5/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.34
RELA Q04206 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
LTA4H P09960 1/20 0.33

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
SCHEMBL4361000 1.00 PTGS2 (0.50) PTGS2MAPK1ALDH1A1MAPTKDM4E
SCHEMBL4361001 1.00 PTGS2 (0.50) PTGS2MAPK1ALDH1A1MAPTKDM4E
SCHEMBL11547155 0.81 CYP2D6 (0.44) PTGS2ALDH1A1MAPTKDM4ERAB9A
SCHEMBL8595189 0.79 PTGS2 (0.37) PTGS2ALDH1A1MAPTKDM4ERAB9A
SCHEMBL8585835 0.79 PTGS2 (0.53) PTGS2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL11594058 0.78 KMT2A (0.57) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL6199076 0.78 S100B (0.46) PTGS2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL6199068 0.78 S100B (0.46) PTGS2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL11462188 0.77 PTGS2 (0.55) PTGS2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL8585029 0.77 MEN1 (0.45) PTGS2MAPTKDM4EKMT2AHPGD

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253231-A1 DINUCLEAR PLATINUM (II) RED EMITTERS FOR OLED APPLICATIONS VERSITECH LIMITED (CN) 2022-12-08 WO disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 US disclosed
US-11299469-B2 Naphthofuran derivatives, preparation, and methods of use thereof SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2022-04-12 US disclosed
US-20210107883-A1 Naphthofuran Derivatives, Preparation, and Methods of Use Thereof SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-04-15 US disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 EP disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 US disclosed
US-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 US disclosed
WO-2018102427-A1 NAPHTHOFURAN DERIVATIVES, PREPARATION, AND METHODS OF USE THEREOF BOSTON BIOMEDICAL, INC. (US) 2018-06-07 WO disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-8993784-B2 Polymethine compounds and their use as fluorescent labels ILLUMINA CAMBRIDGE LIMITED (GB) 2015-03-31 US disclosed
US-20140322713-A1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LIMITED (GB) 2014-10-30 US disclosed
US-20140322713-A1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LIMITED (GB) 2014-10-30 US disclosed
WO-2014135221-A1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LTD (GB) 2014-09-12 WO disclosed
US-20140255917-A1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LIMITED (GB) 2014-09-11 US disclosed
US-20140255917-A1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LIMITED (GB) 2014-09-11 US disclosed
US-8809551-B1 Polymethine compounds and their use as fluorescent labels ILLUMINA CAMBRIDGE LIMITED (GB) 2014-08-19 US disclosed
US-8809551-B1 Polymethine compounds and their use as fluorescent labels ILLUMINA CAMBRIDGE LIMITED (GB) 2014-08-19 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 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 (7 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-20140322713-A1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS POLRMT, FBL, POLM PTGS2 2667/4885MAPK1 4021/4885ALDH1A1 2698/4885
US-20210107883-A1 Naphthofuran Derivatives, Preparation, and Methods of Use Thereof NQO1, CYP2F1, NDUFA1 PTGS2 1599/4885MAPK1 3827/4885ALDH1A1 61/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 PTGS2 2259/4885MAPK1 470/4885ALDH1A1 1815/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 PTGS2 2376/4885MAPK1 689/4885ALDH1A1 2024/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 PTGS2 2259/4885MAPK1 470/4885ALDH1A1 1815/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 PTGS2 2611/4885MAPK1 689/4885ALDH1A1 2036/4885
US-11299469-B2 Naphthofuran derivatives, preparation, and methods of use thereof NQO1, CYP2F1, NDUFA1 PTGS2 1599/4885MAPK1 3827/4885ALDH1A1 61/4885

“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.