SCHEMBL227352

SCHEMBL227352

OC(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
IDO1 P14902 2/20 0.47
TDO2 P48775 2/20 0.47
BRD4 O60885 1/20 0.47
IGFBP3 P17936 1/20 0.45
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL230487 0.93 IDO1 (0.52) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL230516 0.93 CES2 (0.50) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL230519 0.91 CES2 (0.49) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL18623174 0.89 CA1 (0.49) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL229195 0.88 ACHE (0.59) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL20862602 0.88 CES2 (0.46) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL230488 0.88 OPRM1 (0.47) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL23882733 0.86 CYP11B1 (0.46) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL6349980 0.86 CES2 (0.45) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL18280131 0.86 CYP11B1 (0.46) CES2CES1HDAC4HDAC7HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654621-B Substituted naphthyridinone compounds useful as T cell activators 百时美施贵宝公司 2024-05-14 CN disclosed
EP-3814348-B9 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-11-01 EP disclosed
EP-3814348-B1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220324859-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2022-10-13 US disclosed
US-11420950-B2 Heterocyclicalkyl derivative compounds as selective histone deacetylase inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2022-08-23 US disclosed
CN-108026057-B Heterocycloalkyl-derived compounds as selective histone deacetylase inhibitors and pharmaceutical compositions containing the same 株式会社钟根堂 2021-08-06 CN disclosed
EP-3814348-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS Bristol-Myers Squibb Company (US) 2021-05-05 EP disclosed
CN-112654621-A Substituted naphthyridinone compounds useful as T cell activators 百时美施贵宝公司 2021-04-13 CN disclosed
US-10954238-B1 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-23 US disclosed
US-20040039014-A1 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. 2004-02-26 US disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US disclosed
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-1096926-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2001-05-09 EP disclosed
WO-2000002551-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2000-01-20 WO disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 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 (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-20220324859-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG CES2 4302/4885CES1 2736/4885HDAC4 2391/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C CES2 667/4885CES1 318/4885HDAC4 718/4885
US-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR CES2 1878/4885CES1 961/4885HDAC4 1926/4885
US-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators DGKZ, DGKA, DGKG CES2 4302/4885CES1 2736/4885HDAC4 2391/4885
US-11420950-B2 Heterocyclicalkyl derivative compounds as selective histone deacetylase inhibitors and pharmaceutical compositions comprising the same HDAC1, HDAC3, HDAC5 CES2 3792/4885CES1 1396/4885HDAC4 6/4885
US-20040039014-A1 Methods and compounds for treating depression and other disorders GRIN1, GRIN2C, GRIN3B CES2 937/4885CES1 2902/4885HDAC4 243/4885
US-10954238-B1 Substituted naphthyridinone compounds useful as T cell activators DGKZ, DGKA, DGKG CES2 4302/4885CES1 2736/4885HDAC4 2391/4885

“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.