SCHEMBL2050673

SCHEMBL2050673

CN1Cc2c(S(=O)(=O)N(C)C)cc3c(c2C1)NC(=O)C3=NO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
HTR6 P50406 1/20 0.31
PDPK1 O15530 1/20 0.30
ROCK2 O75116 1/20 0.30
FES P07332 1/20 0.30
FER P16591 1/20 0.30
MARK3 P27448 1/20 0.30
FLT3 P36888 1/20 0.30
MAP4K2 Q12851 1/20 0.30
PKN2 Q16513 1/20 0.30
CDC42BPA Q5VT25 1/20 0.30
SLK Q9H2G2 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL2947383 1.00 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4HTR6
Hydrochloric Acid SCHEMBL3142422 0.99 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4HTR6
Hydrochloric Acid SCHEMBL3142414 0.99 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4HTR6
Hydrochloric Acid SCHEMBL8327819 0.90 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4HTR6
Hydrochloric Acid SCHEMBL8327814 0.90 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4HTR6
SCHEMBL8328790 0.89 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8328789 0.89 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL8326429 0.87 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL8326431 0.87 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL8332314 0.86 CA1 (0.32) GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011076946-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALZHEIMER Universidad Del País Vasco (ES) 2011-06-30 WO claimed
US-7750024-B2 Remedy for glioblastoma ASTELLAS PHARMA INC. (JP) 2010-07-06 US disclosed
US-20050165009-A1 Remedy for glioblastoma ASTELLAS PHARMA INC. (JP) 2005-07-28 US disclosed
EP-0529636-B1 Novel isatinoxime derivatives, their preparation and use NEUROSEARCH AS (DK) 1999-06-23 EP disclosed
US-5436250-A Isatineoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1995-07-25 US disclosed
US-5242918-A Isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-09-07 US disclosed
WO-1993005043-A1 NOVEL ISATINOXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1993-03-18 WO disclosed
EP-0529636-A1 Novel isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-03 EP 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-20050165009-A1 Remedy for glioblastoma GRM2, GRM1, GRM3 GRIA1 17/4885GRIA2 19/4885GRIA3 12/4885

“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.