SCHEMBL1997392

SCHEMBL1997392

O=C(c1c(O)c2ccc(Cl)cc2[nH]c1=O)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
KMT2A Q03164 1/20 1.00
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55

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
SCHEMBL8139112 0.82 MEN1 (0.70) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8134963 0.79 MEN1 (0.65) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10652619 0.78 MEN1 (0.64) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8018550 0.78 MEN1 (0.64) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30037913 0.78 MEN1 (0.64) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8142770 0.75 KDM5A (0.62)
SCHEMBL8783954 0.71 CYP1A2 (0.74) MEN1CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL11375916 0.71 KDM4E (0.61) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8548233 0.70 MEN1 (0.54) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9206035 0.70 GRIN2D (0.56) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119327-A1 DRUG SCREENING PLATFORM FOR RETT SYNDROME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-30 US claimed
EP-2841067-A2 A DRUG SCREENING PLATFORM FOR RETT SYNDROME The Regents of The University of California (US) 2015-03-04 EP claimed
WO-2013163455-A2 A DRUG SCREENING PLATFORM FOR RETT SYNDROME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-31 WO claimed
US-12121526-B2 Targeting NCCA-ATP channel for organ protection following ischemic episode THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2024-10-22 US disclosed
US-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-11 US disclosed
US-20220193096-A1 INHIBITORS OF NCCA-ATP CHANNELS FOR THERAPY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2022-06-23 US disclosed
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders CASE WESTERN RESERVE UNIVERSITY (US) 2022-01-04 US disclosed
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-11 US disclosed
EP-3485882-A1 COMPOSITIONS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS Case Western Reserve University (US) 2019-05-22 EP disclosed
EP-2948135-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS UNIV CASE WESTERN RESERVE (US) 2019-01-02 EP disclosed
US-20180008559-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-01-11 US disclosed
US-7858560-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2010-12-28 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-20090004112-A1 METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES USING NMDA RECEPTOR GLYCINE SITE ANTAGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-01-01 US disclosed
US-20090004112-A1 METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES USING NMDA RECEPTOR GLYCINE SITE ANTAGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-01-01 US disclosed
EP-1829539-A2 A method for treating tension-type headache HEADEXPLORER ApS (DK) 2007-09-05 EP disclosed
WO-2007029063-A2 TREATMENT AND/OR PREVENTION OF PERVASIVE DEVELOPMENTAL DISORDERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2007-03-15 WO disclosed
US-20040097562-A1 Method for treating tension-type headache HEAD EXPLORER APS (DK) 2004-05-20 US disclosed
US-20040097562-A1 Method for treating tension-type headache HEAD EXPLORER APS (DK) 2004-05-20 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 (8 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-20090004112-A1 METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES USING NMDA RECEPTOR GLYCINE SITE ANTAGONISTS GRIN2A, GRIN2B, GRIN2D MEN1 4391/4885ALDH1A1 4480/4885CYP1A2 4820/4885
US-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2D, GRIN2A, GRIN2C MEN1 4460/4885ALDH1A1 1764/4885CYP1A2 476/4885
US-20040097562-A1 Method for treating tension-type headache GRIN3A, GRIN2A, GRIK4 MEN1 859/4885ALDH1A1 4457/4885CYP1A2 2737/4885
US-20150119327-A1 DRUG SCREENING PLATFORM FOR RETT SYNDROME GRIN2A, GRIN1, GRIN2B MEN1 2707/4885ALDH1A1 3671/4885CYP1A2 4848/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS MEN1 2224/4885ALDH1A1 4064/4885CYP1A2 4648/4885
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders GRIN2A, GRIN2C, GRIN2D MEN1 4451/4885ALDH1A1 2901/4885CYP1A2 2348/4885
US-20180008559-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2A, GRIN2C, GRIN2D MEN1 4451/4885ALDH1A1 2901/4885CYP1A2 2348/4885
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders MECP2, GRIN2A, GRIN2B MEN1 4709/4885ALDH1A1 3844/4885CYP1A2 3817/4885

“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.