SCHEMBL753152

SCHEMBL753152

CCC(N)N1CCN(CCCNc2ccc3ncn4c5ccccc5c(=O)c2c34)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 18/20 0.61
SMARCA2 P51531 2/20 0.48
NSD2 O96028 1/20 0.48
NQO1 P15559 4/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL7220854 0.89 NQO2 (0.71) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL13916795 0.89 NQO2 (0.68) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL753153 0.87 NQO2 (0.66) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL13916807 0.84 NQO2 (0.64) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL6503570 0.81 NQO2 (0.58) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL13928512 0.79 NQO2 (0.76) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL6502756 0.78 NQO2 (0.56) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL7062442 0.76 NQO2 (0.52) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL13526727 0.75 NQO2 (1.00) NQO2SMARCA2NSD2NQO1KEAP1
SCHEMBL7059459 0.75 NQO2 (0.65) NQO2SMARCA2NSD2NQO1KEAP1

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
US-9326950-B2 Self-assembling nanoparticles composed of transmembrane peptides and their application for specific intra-tumor delivery of anti-cancer drugs THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-05-03 US disclosed
US-20130316957-A1 SMOOTHENED POLYPEPTIDES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2013-11-28 US disclosed
US-8546524-B2 Smoothened polypeptides and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-10-01 US disclosed
US-20120282196-A1 SMOOTHENED POLYPEPTIDES AND METHODS OF USE THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2012-11-08 US disclosed
US-8198402-B2 Smoothened polypeptides and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-06-12 US disclosed
EP-2431388-A1 Smoothened polypeptides and methods of use Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2012-03-21 EP disclosed
US-20100093625-A1 SMOOTHENED POLYPEPTIDES AND METHODS OF USE THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICE (US) 2010-04-15 US disclosed
US-20100034896-A1 SELF-ASSEMBLING NANOPARTICLES COMPOSED OF TRANSMEMBRANE PEPTIDES AND THEIR APPLICATION FOR SPECIFIC INTRA-TUMOR DELIVERY OF ANTI-CANCER DRUGS The United States of America,as represented by the Se ecting the Add button. (US) 2010-02-11 US 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 (3 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-20100093625-A1 SMOOTHENED POLYPEPTIDES AND METHODS OF USE SMO, SHH, GLI1 NQO2 4582/4885SMARCA2 2287/4885NSD2 2619/4885
US-20130316957-A1 SMOOTHENED POLYPEPTIDES AND METHODS OF USE SMO, SHH, GLI1 NQO2 4582/4885SMARCA2 2287/4885NSD2 2619/4885
US-20120282196-A1 SMOOTHENED POLYPEPTIDES AND METHODS OF USE SMO, SHH, GLI1 NQO2 4582/4885SMARCA2 2287/4885NSD2 2619/4885

“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.