SCHEMBL7061579

SCHEMBL7061579

COc1ccc2c(=O)c3c(Cl)ccc([N+](=O)[O-])c3[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
MAPT P10636 2/20 0.54
CDK4 P11802 4/20 0.46
CCND1 P24385 4/20 0.46
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
DYRK1A Q13627 3/20 0.43
CDK2 P24941 3/20 0.42
CCNE2 O96020 2/20 0.42
CCNE1 P24864 2/20 0.42
ROCK2 O75116 1/20 0.42
CAMK2B Q13554 1/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
HPGD P15428 5/20 0.42
LMNA P02545 2/20 0.42
RAF1 P04049 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3376659 0.91 CTSV (0.56) ALDH1A1KDM4EMAPTCTSVCTSL
SCHEMBL7060933 0.84 TSHR (0.42) ALDH1A1KDM4EMAPTCDK4CCND1
SCHEMBL10644736 0.84 MAPT (0.44) ALDH1A1KDM4EMAPTCTSVCTSL
SCHEMBL10651348 0.83 ABCG2 (0.47) ALDH1A1KDM4EMAPTCTSVCTSL
SCHEMBL10642510 0.82 GLI1 (0.43) ALDH1A1KDM4EMAPTROCK2HPGD
SCHEMBL10642423 0.82 CTSV (0.58) ALDH1A1CDK4CCND1CTSVCTSL
SCHEMBL10648971 0.81 NQO2 (0.42) ALDH1A1KDM4EMAPTCTSVCTSL
SCHEMBL10652478 0.80 CTSV (0.49) ALDH1A1KDM4EMAPTCTSVCTSL
SCHEMBL7062290 0.79 VCAM1 (0.52) ALDH1A1MAPTCDK4CCND1CDK2
SCHEMBL7220724 0.79 SIRT2 (0.46) ALDH1A1KDM4EMAPTCTSVCTSL

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 ALDH1A1 39/4885KDM4E 2431/4885MAPT 4635/4885

“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.