SCHEMBL1111017

SCHEMBL1111017

O=C1c2ccccc2C(Cc2ccnc(F)c2)(Cc2ccnc(F)c2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 7/20 1.00
CYP3A4 P08684 3/20 1.00
ALOX15 P16050 2/20 1.00
TSHR P16473 2/20 1.00
ADRA1D P25100 2/20 1.00
ADRA1A P35348 2/20 1.00
ADRA1B P35368 2/20 1.00
KCNH2 Q12809 2/20 1.00
CYP1A2 P05177 2/20 0.63
CYP2C9 P11712 2/20 0.63
PBRM1 Q86U86 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.44
KCNH3 Q9ULD8 2/20 0.34
CHRM5 P08912 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
GAA P10253 1/20 0.33
CASP3 P42574 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
SCHEMBL29381857 1.00 KCNQ2 (1.00) KCNQ2CYP3A4ALOX15TSHRADRA1D
SCHEMBL7358470 0.95 KCNQ2 (0.90) KCNQ2CYP3A4ALOX15TSHRADRA1D
SCHEMBL8736261 0.90 KCNQ2 (0.81) KCNQ2CYP3A4ALOX15TSHRADRA1D
SCHEMBL13002456 0.89 KCNQ2 (0.79) KCNQ2CYP3A4ALOX15TSHRADRA1D
SCHEMBL8058909 0.87 KCNQ2 (0.78) KCNQ2CYP3A4ALOX15TSHRADRA1D
SCHEMBL8381380 0.87 KCNQ2 (0.76) KCNQ2CYP3A4ALOX15TSHRADRA1D
SCHEMBL8377502 0.85 KCNQ2 (0.74) KCNQ2CYP3A4ALOX15TSHRADRA1D
Hydrochloric Acid SCHEMBL28745488 0.84 KCNQ2 (0.72) KCNQ2CYP3A4ALOX15TSHRADRA1D
SCHEMBL8380614 0.83 KCNQ2 (0.71) KCNQ2CYP3A4ALOX15TSHRADRA1D
SCHEMBL12998025 0.82 KCNQ2 (0.68) KCNQ2CYP3A4ALOX15TSHRADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150410-A1 Controlled Release Ion Channel Modulator Compositions and Methods for the Treatment of Otic Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-13 US claimed
US-8399018-B2 Controlled release ion channel modulator compositions and methods for the treatment of otic disorders OTONOMY, INC. (US) 2013-03-19 US claimed
US-6262081-B1 ADMINISTERING TO THE MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMBINATION OF: (I) AT LEAST ONE NEUROTRANSMITTER RELEASE ENHANCER, AND (II) AT LEAST ONE ACETYLCHOLINESTERASE INHIBITOR. DUPONT PHARMACEUTICALS COMPANY 2001-07-17 US claimed
US-6214847-B1 TREATMENT OF COGNITIVE OR NEUROLOGICAL DYSFUNCTION DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US claimed
EP-1003722-A1 CRYSTALLINE 10,10-BIS((2-FLUORO-4-PYRIDINYL)METHYL)-9(10H)-ANTHRACENONE AND AN IMPROVED PROCESS FOR PREPARING THE SAME Du Pont Pharmaceuticals Company (US) 2000-05-31 EP claimed
WO-1999009010-A1 CRYSTALLINE 10,10-BIS((2-FLUORO-4-PYRIDINYL)METHYL)-9(10H)-ANTHRACENONE AND AN IMPROVED PROCESS FOR PREPARING THE SAME DU PONT PHARMACEUTICALS COMPANY (US) 1999-02-25 WO claimed
US-5750528-A Blockade of neuronal m-channels as a therapeutic approach to the treatment of neurological disease THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-05-12 US claimed
US-5594001-A Polycyclic systems, and derivatives thereof, as neurotransmitter release enhancers useful in the treatment of cognitive disorders THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-01-14 US claimed
US-20250282725-A1 KCNQ POTENTIATORS Eii Lilly and Company 2025-09-11 US disclosed
US-12344584-B2 KCNQ potentiators ELI LILLY AND COMPANY (US) 2025-07-01 US disclosed
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-10-31 US disclosed
US-20240226054-A9 AGENTS AND METHODS FOR PREVENTING AND TREATING SKELETAL MUSCLE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-11 US disclosed
US-11969501-B2 Auris formulations for treating otic diseases and conditions DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-04-30 US disclosed
US-20240131000-A1 AGENTS AND METHODS FOR PREVENTING AND TREATING SKELETAL MUSCLE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-04-25 US disclosed
US-5990132-A ?CORE GROUP? TRICYCLIC RING SYSTEM OF GIVEN FORMULA A-C-B FORMED BY A AND B, 5- OR SIX MEMBERED CARBOCYCLIC, OR HETEROCYCLIC RINGS, AND THE CENTRAL SIX-MEMBERED SULFUR CONTAINING RING C; DISUBSTITUTED WITH PYRIDINE GROUPS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1999-11-23 US disclosed
WO-1999009010-A1 CRYSTALLINE 10,10-BIS((2-FLUORO-4-PYRIDINYL)METHYL)-9(10H)-ANTHRACENONE AND AN IMPROVED PROCESS FOR PREPARING THE SAME DU PONT PHARMACEUTICALS COMPANY (US) 1999-02-25 WO disclosed
WO-1999009010-A1 CRYSTALLINE 10,10-BIS((2-FLUORO-4-PYRIDINYL)METHYL)-9(10H)-ANTHRACENONE AND AN IMPROVED PROCESS FOR PREPARING THE SAME DU PONT PHARMACEUTICALS COMPANY (US) 1999-02-25 WO disclosed
WO-1999009010-A1 CRYSTALLINE 10,10-BIS((2-FLUORO-4-PYRIDINYL)METHYL)-9(10H)-ANTHRACENONE AND AN IMPROVED PROCESS FOR PREPARING THE SAME DU PONT PHARMACEUTICALS COMPANY (US) 1999-02-25 WO disclosed
US-5594001-A Polycyclic systems, and derivatives thereof, as neurotransmitter release enhancers useful in the treatment of cognitive disorders THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-01-14 US disclosed
WO-1994024131-A1 NOVEL POLYCYCLIC SYSTEMS, AND DERIVATIVES THEREOF, AS NEUROTRANSMITTER RELEASE ENHANCER USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-27 WO 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 (5 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-20250282725-A1 KCNQ POTENTIATORS KCNN3, KCNQ1, KCNN1 KCNQ2 5/4885CYP3A4 2954/4885ALOX15 2723/4885
US-20130150410-A1 Controlled Release Ion Channel Modulator Compositions and Methods for the Treatment of Otic Disorders TRPV1, ATP2A1, TRPM2 KCNQ2 53/4885CYP3A4 4499/4885ALOX15 1644/4885
US-12344584-B2 KCNQ potentiators KCNN3, KCNQ1, KCNN1 KCNQ2 5/4885CYP3A4 2954/4885ALOX15 2723/4885
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 KCNQ2 2082/4885CYP3A4 4486/4885ALOX15 462/4885
US-11969501-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 KCNQ2 2082/4885CYP3A4 4486/4885ALOX15 462/4885

“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.