SCHEMBL9419852

SCHEMBL9419852

c1c[nH]c(-c2ccc(-c3ccc[nH]3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.57
HDAC1 Q13547 1/20 0.57
HCAR2 Q8TDS4 1/20 0.38
NT5E P21589 1/20 0.38
PYGM P11217 1/20 0.37
CNR1 P21554 1/20 0.36
CHEK1 O14757 3/20 0.36
PTPN1 P18031 2/20 0.36
MET P08581 1/20 0.36
KDR P35968 2/20 0.35
AURKA O14965 2/20 0.35
DAO P14920 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL380666 0.91
SCHEMBL27462334 0.89 HDAC1 (0.50) HDAC6HDAC1HCAR2NT5EPYGM
Hydrochloric Acid SCHEMBL3824245 0.88 HDAC6 (0.48) HDAC6HDAC1HCAR2NT5EPYGM
SCHEMBL80142 0.88 HDAC1 (0.48) HDAC6HDAC1HCAR2CNR1CSF1R
SCHEMBL9188746 0.87 HDAC1 (0.53) HDAC6HDAC1HCAR2NT5EPYGM
SCHEMBL1260031 0.87 HDAC1 (0.48) HDAC6HDAC1HCAR2NT5EPYGM
SCHEMBL198093 0.87 CNR1 (0.49) HDAC6HDAC1CNR1CSF1R
SCHEMBL5106225 0.87 HDAC1 (0.48) HDAC6HDAC1HCAR2NT5EPYGM
SCHEMBL9302892 0.87 HDAC1 (0.48) HDAC6HDAC1
SCHEMBL10035779 0.87 HDAC1 (0.48) HDAC6HDAC1NT5EPYGMCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927099-B2 Unsymmetric CCC-NHC pincer metal complexes and methods of use thereof MISSISSIPPI STATE UNIVERSITY (US) 2021-02-23 US claimed
US-20200095228-A1 UNSYMMETRIC CCC-NHC PINCER METAL COMPLEXES AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2020-03-26 US claimed
EP-3600656-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME Mississippi State University (US) 2020-02-05 EP claimed
WO-2018175659-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME MISSISSIPPI STATE UNIVERSITY (US) 2018-09-27 WO claimed
US-5326509-A Fabrication of benzbisazole polymers into monolithic articles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1994-07-05 US claimed
US-11618745-B2 Unsymmeirical salts, CCC-NHC pincer metal complexes, and methods of making the same MISSISSIPPI STATE UNIVERSITY (US) 2023-04-04 US disclosed
US-11618745-B2 Unsymmeirical salts, CCC-NHC pincer metal complexes, and methods of making the same MISSISSIPPI STATE UNIVERSITY (US) 2023-04-04 US disclosed
US-20210179588-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME MISSISSIPPI STATE UNIVERSITY 2021-06-17 US disclosed
US-20210179588-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME MISSISSIPPI STATE UNIVERSITY 2021-06-17 US disclosed
US-10927099-B2 Unsymmetric CCC-NHC pincer metal complexes and methods of use thereof MISSISSIPPI STATE UNIVERSITY (US) 2021-02-23 US disclosed
US-10927099-B2 Unsymmetric CCC-NHC pincer metal complexes and methods of use thereof MISSISSIPPI STATE UNIVERSITY (US) 2021-02-23 US disclosed
US-20200095228-A1 UNSYMMETRIC CCC-NHC PINCER METAL COMPLEXES AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2020-03-26 US disclosed
CN-101128559-B Phosphorescent OLEDs with exciton blocking layer GLOBAL OLED TECHNOLOGY LLC 2014-08-13 CN disclosed
CN-103764558-A Graphite film and method for producing graphite film KANEKA CORP 2014-04-30 CN disclosed
CN-103547530-A Method for producing graphite film and method for producing carbonized film KANEKA CORP 2014-01-29 CN disclosed
CN-101128559-A Phosphorescent OLEDs with exciton blocking layer EASTMAN KODAK CO (US) 2008-02-20 CN disclosed
CN-1104598-C Film-like heating device, heat insulating seat pad, evaporizer and heating furnace MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2003-04-02 CN disclosed
CN-1051341-C Low denier polybenzazole fibers and the preparation thereof TOYO BOSEKI (JP) 2000-04-12 CN disclosed
US-5326509-A Fabrication of benzbisazole polymers into monolithic articles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1994-07-05 US disclosed
US-5326509-A Fabrication of benzbisazole polymers into monolithic articles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1994-07-05 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 (4 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-11618745-B2 Unsymmeirical salts, CCC-NHC pincer metal complexes, and methods of making the same NDC1, INO80C, HLCS HDAC6 1706/4885HDAC1 485/4885HCAR2 758/4885
US-20200095228-A1 UNSYMMETRIC CCC-NHC PINCER METAL COMPLEXES AND METHODS OF USE THEREOF NDC1, INO80C, KCNC1 HDAC6 1675/4885HDAC1 423/4885HCAR2 794/4885
US-20210179588-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME NDC1, INO80C, KCNC1 HDAC6 1770/4885HDAC1 489/4885HCAR2 928/4885
US-10927099-B2 Unsymmetric CCC-NHC pincer metal complexes and methods of use thereof NDC1, INO80C, KCNC1 HDAC6 1675/4885HDAC1 423/4885HCAR2 794/4885

“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.