SCHEMBL6431795

SCHEMBL6431795

NC(=O)c1nnc(C(F)(F)F)o1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.36
EPHX2 P34913 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
IKBKB O14920 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30

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
SCHEMBL3976687 0.81 PTPN1 (0.39) EPHX2HDAC6DPP4DPP8
SCHEMBL2678471 0.79 DPP4 (0.36) IKBKBDPP4DPP8
SCHEMBL14746910 0.78 POLB (0.31)
SCHEMBL1218079 0.70
SCHEMBL3825447 0.69 IKBKB (0.57) IKBKBKMT2A
SCHEMBL21339786 0.69 HDAC6 (0.48) HDAC6IKBKBKMT2A
SCHEMBL19899559 0.69
SCHEMBL11310095 0.67
SCHEMBL3355222 0.67
SCHEMBL1922468 0.66 EPHX2 (0.38) EPHX2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023187182-A1 PYRAZOLOPYRAZINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2023-10-05 WO claimed
EP-1171423-B1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2005-01-12 EP claimed
US-6462198-B1 USED IN THE CONTROL OR PREVENTION OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES, HEAD INJURIES, HYPOXIA, HOFFMANN-LA ROCHE INC. 2002-10-08 US claimed
EP-1171423-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP claimed
WO-2000063166-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 WO claimed
US-12036292-B2 Heterobiaryl compounds and imaging agents for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-07-16 US disclosed
WO-2023187182-A1 PYRAZOLOPYRAZINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2023-10-05 WO disclosed
CN-116323583-A Heterobiaryl compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2023-06-23 CN disclosed
EP-4192819-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2023-06-14 EP disclosed
US-20220040336-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2022-02-10 US disclosed
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
EP-1171423-B1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2005-01-12 EP disclosed
US-6803381-B1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS, ACTING AS ANTAGONISTS OR AGONISTS HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
US-6596743-B2 Control or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-07-22 US disclosed
US-6462198-B1 USED IN THE CONTROL OR PREVENTION OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES, HEAD INJURIES, HYPOXIA, HOFFMANN-LA ROCHE INC. 2002-10-08 US disclosed
US-20020091150-A1 Carbamic acid derivatives BLEICHER KONRAD (DE) 2002-07-11 US disclosed
EP-1171423-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP disclosed
WO-2000063166-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 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 (4 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-20220040336-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, ATXN2L SCD 4179/4885EPHX2 4235/4885HDAC6 1049/4885
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO SCD 533/4885EPHX2 270/4885HDAC6 1136/4885
US-20020091150-A1 Carbamic acid derivatives CHRM1, CHRNA2, CHRM2 SCD 1315/4885EPHX2 2047/4885HDAC6 1079/4885
US-12036292-B2 Heterobiaryl compounds and imaging agents for imaging huntingtin protein HTT, HYPK, ATXN2L SCD 4179/4885EPHX2 4235/4885HDAC6 1049/4885

“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.