SCHEMBL13627721

SCHEMBL13627721

CC(C)(C)Oc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PDE2A O00408 1/20 0.38
▸ PTGS2 P35354 4/20 0.36
▸ SCD O00767 1/20 0.35
▸ CYP51A1 Q16850 2/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.35
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ RAD51 Q06609 1/20 0.33
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ KIF11 P52732 1/20 0.32

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
SCHEMBL16401438 0.80 PDE2A (0.53) CA1CA2CA5ACA9CA5B
SCHEMBL13449657 0.77 CA1 (0.50) CA1CA2CA5ACA9CA5B
SCHEMBL13650681 0.76 CA1 (0.47) CA1CA2CA5ACA9CA5B
SCHEMBL19832315 0.76 MAPT (0.39) CA1CA2CA5ACA9CA5B
Methane SCHEMBL28299317 0.75 CA1 (0.48) CA1CA2CA5ACA9CA5B
SCHEMBL26746 0.75 SLC6A2 (0.44) CA1CA2CA9SLC6A2SLC6A4
SCHEMBL16748959 0.75 CA1 (0.58) CA1CA2CA5ACA9CA5B
SCHEMBL13526996 0.73 PPARA (0.44) CA1CA2CA5ACA9CA5B
SCHEMBL13596743 0.72 SLC22A2 (0.47) CA1CA2CA5ACA9CA5B
SCHEMBL27334114 0.72 ALDH1A1 (0.41) TP53SLC6A2SLC6A4SLC6A3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111748216-B Synthetic method for preparing novel pyrene D-pi-A type solar cell dye through click reaction 苏州美嘉写智能显示科技有限公司 2021-12-31 — — CN claimed
CN-111748216-A Synthetic method for preparing novel pyrene D-pi-A type solar cell dye through click reaction 苏州美嘉写智能显示科技有限公司 2020-10-09 — — CN claimed
CN-111748216-B Synthetic method for preparing novel pyrene D-pi-A type solar cell dye through click reaction 苏州美嘉写智能显示科技有限公司 2021-12-31 — — CN disclosed
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 — — US disclosed
CN-111748216-A Synthetic method for preparing novel pyrene D-pi-A type solar cell dye through click reaction 苏州美嘉写智能显示科技有限公司 2020-10-09 — — CN disclosed
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2019-08-13 — — US disclosed
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 — — US disclosed
US-8268936-B2 Synthesis of hybrid block copolymers and uses thereof INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-18 — — US disclosed
US-20120196989-A1 SYNTHESIS OF HOMOPOLYMERS AND BLOCK COPOLYMERS INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2012-08-02 — — US disclosed
US-20110124840-A1 Synthesis of Homopolymers and Block Copolymers INTEZYNE TECHNOLOGIES, INC. 2011-05-26 — — US disclosed
US-20110021718-A1 SYNTHESIS OF HYBRID BLOCK COPOLYMERS AND USES THEREOF INTEZYNE TECHNOLOGIES (US) 2011-01-27 — — US disclosed
US-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 — — US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 — — 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-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 CA1 4601/4885CA2 3527/4885CA5A 1145/4885
US-20110124840-A1 Synthesis of Homopolymers and Block Copolymers PARG, PCNA, PARN CA1 1774/4885CA2 3646/4885CA5A 3329/4885
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 CA1 4601/4885CA2 3527/4885CA5A 1145/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 CA1 4601/4885CA2 3527/4885CA5A 1145/4885

“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.

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