SCHEMBL7060933

SCHEMBL7060933

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 3/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
FBP1 P09467 3/20 0.40
CAPN1 P07384 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39

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
SCHEMBL7064339 0.90 ALDH1A1 (0.45) TSHRCYP3A4KDM4EGRIN2DGRIN3B
SCHEMBL10642510 0.85 GLI1 (0.43) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7062290 0.84 VCAM1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7061579 0.84 ALDH1A1 (0.54) CYP3A4KDM4ECTSLCDK4CCND1
SCHEMBL7220724 0.82 SIRT2 (0.46) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10644736 0.80 MAPT (0.44) CYP3A4KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL5125095 0.78 MEN1 (0.45) FBP1MAPTLMNAGAAMEN1
SCHEMBL7058105 0.78 ALDH1A1 (0.45) KDM4EFBP1CTSLMAPTLMNA
SCHEMBL10645311 0.77 MAPT (0.44) KDM4EFBP1CTSLMAPTLMNA
SCHEMBL8807470 0.77 LMNA (0.43) FBP1CAPN1CTSLCTSBMAPT

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 TSHR 3246/4885CYP3A4 1761/4885KDM4E 2431/4885

“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.