SCHEMBL7062290

SCHEMBL7062290

N#Cc1ccc2c(=O)c3c(Cl)ccc([N+](=O)[O-])c3[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.52
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
MERTK Q12866 2/20 0.39
ALK Q9UM73 2/20 0.38
FBP1 P09467 1/20 0.38
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36

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
SCHEMBL7059598 0.91 VCAM1 (0.52) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7060933 0.84 TSHR (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10642510 0.82 GLI1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7061579 0.79 ALDH1A1 (0.54) MAPTCYP1A2CCNE2CDK4CCND1
SCHEMBL7220724 0.79 SIRT2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7064339 0.77 ALDH1A1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21563919 0.77 NOS3 (0.46) ALKCCNE2CDK4CCND1CCNE1
SCHEMBL7058105 0.75 ALDH1A1 (0.45) FBP1MAPTMEN1NPC1ALDH1A1
SCHEMBL5125095 0.75 MEN1 (0.45) FBP1MAPTMEN1NPC1ALDH1A1
SCHEMBL10644736 0.74 MAPT (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664263-B2 Potent unsymmetrical DNA bifunctional intercalators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-12-16 US disclosed
US-20030203916-A1 1,8-NAPHTHALIMIDE IMIDAZO{4,5,1-DE}ACRIDONES WITH ANTI-TUMOR ACTIVITY HEALTH AND HUMAN SERVICES, THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEARTMENT OF 2003-10-30 US disclosed
EP-1265898-B1 1,8-NAPHTHALIMIDE IMIDAZO 4,5,1- i de /i ]ACRIDONES WITH ANTI-TUMOR ACTIVITY US GOV HEALTH & HUMAN SERV (US) 2003-09-24 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-20030203916-A1 1,8-NAPHTHALIMIDE IMIDAZO{4,5,1-DE}ACRIDONES WITH ANTI-TUMOR ACTIVITY MKI67, CDKN1A, CCNA1 VCAM1 2945/4885GRIN2D 4281/4885GRIN3B 4770/4885

“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.