Charcoal, Activated

Charcoal, Activated

SCHEMBL1376916

N#Cc1ccccc1C#N.[C]

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ESR2 Q92731 1/20 0.46
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IMPDH2 P12268 3/20 0.42
IMPDH1 P20839 2/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2818597 0.96 TSHR (0.63) TSHRCA1CA2ESR2MAOA
SCHEMBL57480 0.96 TSHR (0.63) TSHRCA1CA2ESR2MAOA
Water SCHEMBL27896186 0.96 TSHR (0.63) TSHRCA1CA2ESR2MAOA
Water SCHEMBL19410621 0.96 TSHR (0.63) TSHRCA1CA2ESR2MAOA
SCHEMBL29352197 0.96 TSHR (0.63) TSHRCA1CA2ESR2MAOA
Methane SCHEMBL18035842 0.93 TSHR (0.60) TSHRCA1CA2ESR2MAOA
Hydrogen Sulfide SCHEMBL1324202 0.93 TSHR (0.60) TSHRCA1CA2ESR2MAOA
SCHEMBL6372765 0.93 TSHR (0.60) TSHRCA1CA2ESR2MAOA
Hydrochloric Acid SCHEMBL8884007 0.93 TSHR (0.60) TSHRCA1CA2ESR2MAOA
SCHEMBL3959857 0.93 TSHR (0.60) TSHRCA1CA2ESR2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3877447-B1 COMPOSITION OF PHTHALONITRILE RESIN MATRIX FOR POLYMER COMPOSITE MATERIALS, METHOD FOR FABRICATION THEREOF, METHOD FOR MANUFACTURING OF POLYMER COMPOSITE MATERIAL, AND MATERIAL OBTAINED BY THIS METHOD JOINT STOCK COMPANY (RU) 2024-07-17 EP disclosed
US-20220017712-A1 Composition of Phthalonitrile Resin Matrix for Polymer Composite Materials, Method for Fabrication Thereof, Method for Manufacturing of Polymer Composite Material, and Material Obtained by this Method JOINT STOCK COMPANY "INSTITUTE OF NEW CARBON MATERIALS AND TECHNOLOGIES" (RU) 2022-01-20 US disclosed
EP-3877447-A1 COMPOSITION OF PHTHALONITRILE RESIN MATRIX FOR POLYMER COMPOSITE MATERIALS, METHOD FOR FABRICATION THEREOF, METHOD FOR MANUFACTURING OF POLYMER COMPOSITE MATERIAL, AND MATERIAL OBTAINED BY THIS METHOD Joint Stock Company (RU) 2021-09-15 EP disclosed
EP-3831866-A1 SYNTHESIS OF AND CURING ADDITIVES FOR PHTHALONITRILES The Government of the United States of America as represented by the Secretary of the Navy (US) 2021-06-09 EP disclosed
EP-2880079-B1 SYNTHESIS OF AND CURING ADDITIVES FOR PHTHALONITRILES US GOV SEC NAVY (US) 2021-01-20 EP disclosed
US-9920165-B2 Phthalonitriles derived from polyphenols THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2018-03-20 US disclosed
US-9889590-B2 Controlling crosslinking density and processing parameters of phthalonitriles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2018-02-13 US disclosed
US-9815235-B2 Controlling crosslinking density and processing parameters of phthalonitriles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2017-11-14 US disclosed
EP-3233788-A1 SYNTHESIS AND POLYMERIZATION OF OLIGOMERIC ALIPHATIC-AROMATIC BASED PHTHALONITRILES The Government of the United States of America, as represented by the Secretary of the Navy (US) 2017-10-25 EP disclosed
US-20170002146-A1 CONTROLLING CROSSLINKING DENSITY AND PROCESSING PARAMETERS OF PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2017-01-05 US disclosed
US-8530607-B2 Aromatic ether and alkynyl containing phthalonitriles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-09-10 US disclosed
US-8362239-B2 Heteroaromatic phthalonitriles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-01-29 US disclosed
US-20120232270-A1 HETEROAROMATIC PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-09-13 US disclosed
US-8222403-B2 Heteroaromatic phthalonitriles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-07-17 US disclosed
US-20110288254-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-11-24 US disclosed
US-20110263775-A1 PHOSPHINE OXIDE CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-10-27 US disclosed
US-8039576-B2 Aromatic ether and alkynyl containing phthalonitriles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-10-18 US disclosed
US-20110108755-A1 HETEROAROMATIC PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-05-12 US disclosed
US-20090069484-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-12 US disclosed
US-20080255287-A1 PHOSPHINE OXIDE CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRECTARY OF THE NAVY (US) 2008-10-16 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-20120232270-A1 HETEROAROMATIC PHTHALONITRILES ARNT, PBRM1, NR4A1 TSHR 4766/4885CA1 2303/4885CA2 1184/4885
US-20080255287-A1 PHOSPHINE OXIDE CONTAINING PHTHALONITRILES PHOSPHO1, PBRM1, PFAS TSHR 4262/4885CA1 918/4885CA2 126/4885
US-20110288254-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES PNN, BECN1, ACIN1 TSHR 4875/4885CA1 647/4885CA2 58/4885
US-20110108755-A1 HETEROAROMATIC PHTHALONITRILES ARNT, PBRM1, NR4A1 TSHR 4766/4885CA1 2303/4885CA2 1184/4885

“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.