SCHEMBL194273

SCHEMBL194273

COc1cccc(CC(=NO)C(=O)OC(=O)/C=C\C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 5/20 0.65
CYP1A2 P05177 1/20 0.44
HCAR2 Q8TDS4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
USP2 O75604 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
POLB P06746 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
Fumaric Acid SCHEMBL9416535 0.72 MEN1 (0.74) MEN1KMT2APOLB
Maleic Acid SCHEMBL9416530 0.72 MEN1 (0.74) MEN1KMT2APOLB
Maleic Acid SCHEMBL9416593 0.71 ACHE (0.56) CYP1A2MEN1KMT2APOLB
Fumaric Acid SCHEMBL9416595 0.71 ACHE (0.56) CYP1A2MEN1KMT2APOLB
SCHEMBL229067 0.70 PTGS1 (0.67) CTBP2CYP1A2MEN1KMT2AUSP2
SCHEMBL29824310 0.70 PTGS1 (0.67) CTBP2CYP1A2MEN1KMT2AUSP2
SCHEMBL8218805 0.69 CTBP2 (0.65) CTBP2CYP1A2MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL8693464 0.69 CTBP2 (0.65) CTBP2CYP1A2MEN1KMT2AUSP2
SCHEMBL31618812 0.69 CTBP2 (0.60) CTBP2CYP1A2MEN1KMT2AUSP2
SCHEMBL4993803 0.69 CTBP2 (0.60) CTBP2CYP1A2MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE RESILIO COMPANY LIMITED (JP) 2017-05-11 US disclosed
EP-2946792-A1 THERAPEUTIC AGENT AND THERAPEUTIC METHOD RELATING TO 1,25D3-MARRS FOR NEUROLOGICAL DISEASE SUCH AS ALZHEIMER'S DISEASE& xA; Resilio Company Limited (JP) 2015-11-25 EP disclosed
US-20150126464-A1 THERAPEUTIC DRUG AND THERAPEUTIC METHOD FOR NEUROLOGICAL DISEASES INCLUDING ALZHEIMER'S DISEASE ASSOCIATED WITH 1,25D3-MARRS RESILIO COMPANY LIMITED (JP) 2015-05-07 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
WO-2010098488-A1 ARYL IMIDAZOLE COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 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 (3 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-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE GAP43, NGF, BDNF CTBP2 3428/4885CYP1A2 4494/4885HCAR2 2135/4885
US-20150126464-A1 THERAPEUTIC DRUG AND THERAPEUTIC METHOD FOR NEUROLOGICAL DISEASES INCLUDING ALZHEIMER'S DISEASE ASSOCIATED WITH 1,25D3-MARRS BDNF, BACE1, GAP43 CTBP2 3419/4885CYP1A2 3432/4885HCAR2 446/4885
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 CTBP2 3558/4885CYP1A2 1313/4885HCAR2 2584/4885

“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.