SCHEMBL4292069

SCHEMBL4292069

CCS(=O)(=O)N(C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 12/20 1.00
KCNQ1 P51787 12/20 1.00
MEN1 O00255 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C19 P33261 1/20 1.00
KMT2A Q03164 1/20 1.00
KCND3 Q9UK17 1/20 1.00
ABCB1 P08183 7/20 0.65
KDM4E B2RXH2 1/20 0.64

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
SCHEMBL4292061 1.00 KCNE1 (1.00) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL29389863 1.00 KCNE1 (1.00) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL4292064 1.00 KCNE1 (1.00) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6561056 0.93 KCNE1 (1.00) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6561055 0.93 KCNE1 (1.00) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6561052 0.93 KCNE1 (1.00) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6559944 0.88 KCNE1 (0.79) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6559948 0.88 KCNE1 (0.79) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6559939 0.88 KCNE1 (0.79) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6560812 0.87 KCNE1 (0.78) KCNE1KCNQ1MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9066938-B2 GPBP-1 inhibition and its therapeutic use Fibrostein, S.L. (ES) 2015-06-30 US claimed
US-20140005134-A1 GPBP-1 inhibition and its therapeutic use UNIVERSITAT DE VALENCIA (ES) 2014-01-02 US claimed
US-11221329-B2 Treatment of neurological and neurodevelopmental diseases and disorders associated with aberrant ion channel expression and activity LIEBER INSTITUTE, INC. (US) 2022-01-11 US disclosed
US-20180328915-A1 Treatment of Neurological and Neurodevelopmental Diseases and Disorders Associated with Aberrant Ion Channel Expression and Activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-11-15 US disclosed
WO-2017075222-A1 TREATMENT OF NEUROLOGICAL AND NEURODEVELOPMENTAL DISEASES AND DISORDERS ASSOCIATED WITH ABERRANT ION CHANNEL EXPRESSION AND ACTIVITY LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2017-05-04 WO disclosed
US-20150320730-A1 GPBP-1 inhibition and its therapeutic use FIBROSTATIN, S.L. (ES) 2015-11-12 US disclosed
US-9066938-B2 GPBP-1 inhibition and its therapeutic use Fibrostein, S.L. (ES) 2015-06-30 US disclosed
US-20140005134-A1 GPBP-1 inhibition and its therapeutic use UNIVERSITAT DE VALENCIA (ES) 2014-01-02 US disclosed
US-20090227469-A1 CELLS AND ASSAYS FOR USE IN DETECTING LONG QT SYNDROME THE J. DAVID GLADSTONE INSTITUTES 2009-09-10 US disclosed
EP-1140042-B1 UTILIZATION OF INHIBITORS OF THE KQT1 CHANNEL IN ORDER TO PRODUCE A MEDICAMENT FOR TREATING DISEASES WHICH ARE CAUSED BY PARASITIC HELMINTHS AND ECTOPARASITES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-26 EP disclosed
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 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 (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-11221329-B2 Treatment of neurological and neurodevelopmental diseases and disorders associated with aberrant ion channel expression and activity KCNQ1, KCNQ2, KCNQ3 KCNE1 38/4885KCNQ1 1/4885MEN1 2614/4885
US-20180328915-A1 Treatment of Neurological and Neurodevelopmental Diseases and Disorders Associated with Aberrant Ion Channel Expression and Activity KCNQ1, KCNQ2, KCNQ3 KCNE1 38/4885KCNQ1 1/4885MEN1 2614/4885
US-20140005134-A1 GPBP-1 inhibition and its therapeutic use ABCC1, ABCC8, ABCB1 KCNE1 2388/4885KCNQ1 3574/4885MEN1 4339/4885
US-20150320730-A1 GPBP-1 inhibition and its therapeutic use ABCC1, ABCC8, ABCB1 KCNE1 2388/4885KCNQ1 3574/4885MEN1 4339/4885

“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.