SCHEMBL26626652

SCHEMBL26626652

Cc1c(F)cc(C#N)c(F)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.44
▸ GRIN3B O60391 2/20 0.44
▸ GRIN1 Q05586 2/20 0.44
▸ GRIN2A Q12879 2/20 0.44
▸ GRIN2B Q13224 2/20 0.44
▸ GRIN2C Q14957 2/20 0.44
▸ GRIN3A Q8TCU5 2/20 0.44
▸ VCAM1 P19320 3/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ GRIA1 P42261 2/20 0.34
▸ GRIA2 P42262 2/20 0.34
▸ GRIA3 P42263 2/20 0.34
▸ GRIA4 P48058 2/20 0.34
▸ GRM6 O15303 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL27498898 0.78 VCAM1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9705273 0.77 VCAM1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23137518 0.77 VCAM1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31575822 0.76 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2248560 0.75 VCAM1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27362042 0.74 TRPV4 (0.43) ALDH1A1TRPV4
SCHEMBL3191461 0.74 TRPV4 (0.43) ALDH1A1TRPV4
SCHEMBL670932 0.74 VCAM1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5281459 0.71 MAPT (0.49) VCAM1MEN1KMT2AALDH1A1MAPT
SCHEMBL20242144 0.71 GPR35 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 GRIN2D 4110/4885GRIN3B 3028/4885GRIN1 2902/4885

“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.

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