SCHEMBL4615740

SCHEMBL4615740

Cc1c(F)cc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.56
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
MAPT P10636 3/20 0.40
CCR6 P51684 2/20 0.40
KAT2B Q92831 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTOR P42345 1/20 0.38
PLK1 P53350 1/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL30601698 1.00 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4639178 0.87 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31750678 0.82 VCAM1 (0.59) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2085369 0.80 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25186726 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9899802 0.79 VCAM1 (0.77) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30372844 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28063755 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9899661 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1344002 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313556-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS RETUNE PHARMA, INC. 2025-10-09 US disclosed
EP-4514799-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MRJA Therapeutics, Inc. (US) 2025-03-05 EP disclosed
CN-119384421-A Certain chemical entities, compositions and methods 沐尔佳治疗公司 2025-01-28 CN disclosed
WO-2023212612-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN SHAWN (US) 2023-11-02 WO disclosed
WO-2023212612-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN SHAWN (US) 2023-11-02 WO disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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 (2 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-20250313556-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIT, PRKCH, PRKCB VCAM1 800/4885GRIN2D 4110/4885GRIN3B 3028/4885
US-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD VCAM1 1168/4885GRIN2D 2146/4885GRIN3B 1462/4885

“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.