SCHEMBL2394195

SCHEMBL2394195

N[C@@H](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
SCHEMBL2394204 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 64 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
WO-1996015134-A1 L-α-AMINO-3-BIPHENYL-PROPANOIC ACID DERIVATIVE NOVARTIS AG (CH) 1996-05-23 — — WO claimed
US-20240156853-A1 IN VITRO AND IN VIVO INTRACELLULAR DELIVERY OF SIRNA VIA SELF-ASSEMBLED NANOPIECES RHODE ISLAND HOSPITAL 2024-05-16 — — US disclosed
US-11701379-B2 In vitro and in vivo intracellular delivery of siRNA via self-assembled nanopieces RHODE ISLAND HOSPITAL (US) 2023-07-18 — — 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-11213494-B2 Compositions and methods for the treatment of pervasive development disorders CASE WESTERN RESERVE UNIVERSITY (US) 2022-01-04 — — US disclosed
US-11147799-B2 Topical pharmaceutical composition containing phenytoin and a (co-) analgesic for the treatment of chronic pain Keppel Hesselink, Jan Marius (NL) 2021-10-19 — — US disclosed
US-20210023117-A1 IN VITRO AND IN VIVO INTRACELLULAR DELIVERY OF SIRNA VIA SELF-ASSEMBLED NANOPIECES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-01-28 — — US disclosed
US-20200375991-A1 NANOCARRIERS AND THEIR PROCESSING FOR DIAGNOSTICS AND THERAPEUTICS RHODE ISLAND HOSPITAL 2020-12-03 — — US disclosed
US-20200069649-A1 TOPICAL PHARMACEUTICAL COMPOSITION CONTAINING PHENYTOIN AND A (CO -) ANALGESIC FOR THE TREATMENT OF CHRONIC PAIN TOPICAL INNOVATIONS B.V. (NL) 2020-03-05 — — 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
US-20060205789-A1 Gacyclidine formulations NEUROSYSTEC CORPORATION (US) 2006-09-14 — — US disclosed
WO-2006096518-A2 IMPROVED GACYCLIDINE FORMULATIONS NEUROSYSTEC CORPORATION (US) 2006-09-14 — — WO disclosed
WO-2006079055-A2 APPARATUS AND METHOD FOR DELIVERING THERAPEUTIC AND/OR OTHER AGENTS TO THE INNER EAR AND TO OTHER TISSUES NEUROSYSTEC CORPORATION (US) 2006-07-27 — — 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 (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-11701379-B2 In vitro and in vivo intracellular delivery of siRNA via self-assembled nanopieces NFATC1, TRAF6, UACA MEN1 3021/4885ALOX15 4451/4885CYP2C19 4881/4885
US-20210023117-A1 IN VITRO AND IN VIVO INTRACELLULAR DELIVERY OF SIRNA VIA SELF-ASSEMBLED NANOPIECES NFATC1, TRAF6, UACA MEN1 3021/4885ALOX15 4451/4885CYP2C19 4881/4885
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-20200375991-A1 NANOCARRIERS AND THEIR PROCESSING FOR DIAGNOSTICS AND THERAPEUTICS SYVN1, SSB, TNF MEN1 3527/4885ALOX15 2293/4885CYP2C19 4627/4885
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders GRIN2A, GRIN2C, GRIN2D MEN1 4451/4885ALOX15 2265/4885CYP2C19 3525/4885
US-20240156853-A1 IN VITRO AND IN VIVO INTRACELLULAR DELIVERY OF SIRNA VIA SELF-ASSEMBLED NANOPIECES NFATC1, TRAF6, UACA MEN1 3021/4885ALOX15 4451/4885CYP2C19 4881/4885
US-20060205789-A1 Gacyclidine formulations DCTD, TYMP, TYMS MEN1 817/4885ALOX15 4021/4885CYP2C19 813/4885

“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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