SCHEMBL518003

SCHEMBL518003

C[C](C)c1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.54
CA1 P00915 2/20 0.54
ALDH1A1 P00352 2/20 0.52
CYP2A6 P11509 2/20 0.52
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.48
GSK3B P49841 2/20 0.48
MMP3 P08254 1/20 0.46
ENPP2 Q13822 1/20 0.46
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL27713652 0.82 CA2 (0.52) CA2CA1ALDH1A1CYP2A6CA12
SCHEMBL28879880 0.80 CA2 (0.50) CA2CA1ALDH1A1CYP2A6CA12
SCHEMBL163209 0.80 ALDH1A1 (0.72) CA2CA1ALDH1A1CYP2A6CA12
SCHEMBL8254440 0.80 ALDH1A1 (0.54) CA2CA1ALDH1A1CYP2A6CA12
SCHEMBL14618078 0.80 CA2 (0.50) CA2CA1ALDH1A1CYP2A6CA12
SCHEMBL20000003 0.80 CA2 (0.50) CA2CA1ALDH1A1CYP2A6CA12
SCHEMBL20963097 0.78 CA2 (0.48) CA2CA1ALDH1A1CYP2A6CA12
SCHEMBL21783612 0.78 CA2 (0.58) CA2CA1ALDH1A1CYP2A6CA12
SCHEMBL4078022 0.78 CA2 (0.58) CA2CA1ALDH1A1CYP2A6CA12
SCHEMBL19750296 0.77 NOS3 (0.48) CA2CA1ALDH1A1CYP2A6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112236464-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2024-02-23 CN disclosed
CN-112204076-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2023-10-24 CN disclosed
CN-113646393-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-09-19 CN disclosed
CN-116490555-A Copper-clad laminate and printed circuit board 三菱瓦斯化学株式会社 2023-07-25 CN disclosed
US-20230165252-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 WO disclosed
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-20130267701-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2013-10-10 US disclosed
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
EP-2598483-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
US-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
WO-2012016217-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
CN-1195340-A Inhibitors of farnesyl-protein transferase MERCK & CO INC (US) 1998-10-07 CN disclosed
US-4555355-A Composition for liquid crystal color display MITSUI TOATSU CHEMICALS, INC. (JP) 1985-11-26 US disclosed
EP-0060895-B1 COMPOSITION FOR LIQUID CRYSTAL COLOR DISPLAY MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-05-02 EP disclosed
US-4459218-A Composition for liquid crystal color display MITSUI TOATSU CHEMICALS, INC. (JP) 1984-07-10 US disclosed
EP-0060895-A1 COMPOSITION FOR LIQUID CRYSTAL COLOR DISPLAY MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-09-29 EP 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-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same AK2, PC, PRKAG2 CA2 3760/4885CA1 4791/4885ALDH1A1 1146/4885
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 CA2 3527/4885CA1 4601/4885ALDH1A1 807/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 CA2 3527/4885CA1 4601/4885ALDH1A1 807/4885
US-20230165252-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX CA2 852/4885CA1 1703/4885ALDH1A1 2558/4885
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 CA2 3527/4885CA1 4601/4885ALDH1A1 807/4885
US-20130267701-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 CA2 3527/4885CA1 4601/4885ALDH1A1 807/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB CA2 3138/4885CA1 4659/4885ALDH1A1 2740/4885

“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.