SCHEMBL2394204

SCHEMBL2394204

NC(Cc1cc(CP(=O)(O)O)cc(-c2ccccc2Cl)c1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 1.00
▸ ALOX15 P16050 2/20 1.00
▸ CYP2C19 P33261 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ HSD17B10 Q99714 2/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ MAPK1 P28482 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53

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
SCHEMBL2394195 1.00 MEN1 (1.00) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL29369964 1.00 MEN1 (1.00) MEN1ALOX15CYP2C19KMT2AHSD17B10
Ammonia Solution, Strong SCHEMBL29580190 0.99 MEN1 (0.98) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL794085 0.85 MEN1 (0.73) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL1430608 0.85 MEN1 (0.73) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL20693802 0.84 MEN1 (0.72) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL838875 0.84 MEN1 (0.72) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL30545232 0.84 MEN1 (0.72) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL838874 0.84 MEN1 (0.72) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL9344811 0.81 MEN1 (0.69) MEN1ALOX15CYP2C19KMT2AHSD17B10

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 43 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-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-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
CN-106793970-A Nanoparring agents for diagnosis and therapy and processing thereof 罗得岛医院 2017-05-31 — — CN disclosed
WO-2016040780-A1 AMINOMETHYL- AND METHYLOXY-LINKED TRICYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN AGGREGATION NEUROPORE THERAPIES, INC. (US) 2016-03-17 — — WO disclosed
EP-1871749-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (US) 2008-01-02 — — EP disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 — — US disclosed
EP-1773788-A2 QUINAZOLINE DERIVATIVES NOVARTIS-PHARMA GMBH (AT) 2007-04-18 — — EP disclosed
US-20060293282-A1 Substituted aminoalkanephosphonic acids NOVARTIS AG (CH) 2006-12-28 — — US disclosed
WO-2006108591-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS NOVARTIS AG (CH) 2006-10-19 — — WO disclosed
WO-2006010591-A2 QUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2006-02-02 — — WO disclosed
WO-2005049039-A1 COMBINATIONS COMPRISING AMPA RECEPTORS ANTAGONISTS FOR THE TREATMENT OF AFFECTIVE AND ATTENTION DEFICIT DISORDERS NOVARTIS AG (CH) 2005-06-02 — — WO disclosed
EP-1501518-A2 SUBSTITUTED AMINOALKANEPHOSPHONIC ACIDS FOR THE TREATMENT OF NEUROPATHIC PAIN, AFFECTIVE AND ATTENTION DISORDERS, SCHIZOPHRENIA, TINNITUS, MYOPIA AND OTHER OCULAR DISORDERS Novartis AG (CH) 2005-02-02 — — EP disclosed
WO-2003092701-A2 SUBSTITUTED AMINOALKANEPHOSPHONIC ACIDS FOR THE TREATMENT OF NEUROPATHIC PAIN, AFFECTIVE AND ATTENTION DISORDERS, SCHIZOPHRENIA, TINNITUS, MYOPIA AND OTHER OCULAR DISORDERS NOVARTIS AG (CH) 2003-11-13 — — 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 (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-20060293282-A1 Substituted aminoalkanephosphonic acids AANAT, LPAR6, AADAT MEN1 1548/4885ALOX15 1766/4885CYP2C19 3443/4885
US-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 MEN1 1459/4885ALOX15 4662/4885CYP2C19 12/4885
US-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2D, GRIN2A, GRIN2C MEN1 4460/4885ALOX15 1269/4885CYP2C19 1313/4885
US-20150119327-A1 DRUG SCREENING PLATFORM FOR RETT SYNDROME GRIN2A, GRIN1, GRIN2B MEN1 2707/4885ALOX15 4379/4885CYP2C19 4877/4885
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders GRIN2A, GRIN2C, GRIN2D MEN1 4451/4885ALOX15 2265/4885CYP2C19 3525/4885
US-20180008559-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2A, GRIN2C, GRIN2D MEN1 4451/4885ALOX15 2265/4885CYP2C19 3525/4885
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders MECP2, GRIN2A, GRIN2B MEN1 4709/4885ALOX15 4441/4885CYP2C19 4385/4885

“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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