SCHEMBL6418751

SCHEMBL6418751

O=C(O)c1c(I)ccc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.40
CES1 P23141 5/20 0.40
MAP2K1 Q02750 2/20 0.38
MAP2K2 P36507 1/20 0.38
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 2/20 0.35
BCHE P06276 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
TPMT P51580 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TTR P02766 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11991561 0.83 CES2 (0.38) CES2CES1MAP2K1MAP2K2CA1
SCHEMBL31258574 0.81 CES2 (0.47) CES2CES1MAP2K1MAP2K2CA1
SCHEMBL365563 0.81 CES2 (0.47) CES2CES1MAP2K1MAP2K2CA1
SCHEMBL22980390 0.81 DPP4 (0.47) MAP2K1KDM4EASPHKDM8ALDH1A1
SCHEMBL14352206 0.79 FABP3 (0.40) MAP2K1MAP2K2CA1CA2CA12
SCHEMBL16936690 0.79 GPR17 (0.35) CA1CA2KDM4EASPHKDM8
SCHEMBL30365593 0.79 ANO1 (0.39) MAP2K1KDM4EALDH1A1ANO1
SCHEMBL15273916 0.79 ANO1 (0.39) MAP2K1KDM4EALDH1A1ANO1
SCHEMBL16556004 0.79 TPMT (0.31) CES2CES1MAP2K1MAP2K2CA1
SCHEMBL423355 0.79 MEN1 (0.41) MEN1KMT2ASMN1; SMN2

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
CN-118344325-A PI3K selective inhibitors 轩竹生物科技股份有限公司 2024-07-16 CN disclosed
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP disclosed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US disclosed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US disclosed
US-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 US disclosed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US disclosed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US disclosed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US disclosed
US-9896452-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2018-02-20 US disclosed
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. 2017-04-13 US disclosed
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
EP-1359917-B1 THIOXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN CO LLC (US) 2005-06-29 EP disclosed
US-6821969-B2 FOR THERAPY AND PROPHYLAXIS OF HERPESVIRAL INFECTION PHARMACIA & UPJOHN COMPANY 2004-11-23 US disclosed
EP-1359917-A1 THIOXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-11-12 EP disclosed
EP-1220858-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2003-11-05 EP disclosed
US-20020143013-A1 Thioxazinoquinolones as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-10-03 US disclosed
WO-2002064145-A1 THIOXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-08-22 WO disclosed
EP-1220858-A2 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-07-10 EP disclosed
US-6340680-B1 AS ANTIVIRAL AGENTS, AGAINST VIRUSES OF HERPES FAMILY PHARMACIA AND UPJOHN COMPANY 2002-01-22 US disclosed
WO-2001025239-A2 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2001-04-12 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 (6 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-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R CES2 1953/4885CES1 1091/4885MAP2K1 4202/4885
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 CES2 112/4885CES1 997/4885MAP2K1 2799/4885
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 CES2 112/4885CES1 997/4885MAP2K1 2799/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R CES2 1845/4885CES1 972/4885MAP2K1 3895/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R CES2 1953/4885CES1 1091/4885MAP2K1 4202/4885
US-20020143013-A1 Thioxazinoquinolones as antiviral agents DDX5, IRF3, ZC3HAV1 CES2 2411/4885CES1 1005/4885MAP2K1 4605/4885

“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.