SCHEMBL6754682

SCHEMBL6754682

CC(C)(C)Oc1cc(-c2ccc3ccccc3c2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 3/20 0.55
MAPT P10636 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
RAC1 P63000 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACACA Q13085 2/20 0.46
ACP1 P24666 3/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MEN1 O00255 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
SCHEMBL16096770 0.85 HPGD (0.51) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL16098101 0.85 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL16097509 0.84 SMN1; SMN2 (0.57) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL16098945 0.84 HPGD (0.57) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL16098736 0.83 LMNA (0.56) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL16098548 0.79 MEN1 (0.52) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL3879052 0.76 ALDH1A1 (0.57) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL6534364 0.76 CYP1A1 (0.50) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL31134275 0.76 CYP1A1 (0.50) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL16098942 0.76 HPGD (0.47) KDM4EALDH1A1LMNAHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179770-B2 Quinolines derivatives as novel anticancer agents GENOSCIENCE PHARMA (FR) 2019-01-15 US disclosed
US-10179770-B2 Quinolines derivatives as novel anticancer agents GENOSCIENCE PHARMA (FR) 2019-01-15 US disclosed
EP-2976333-B1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA SAS (FR) 2018-08-08 EP disclosed
EP-2976333-B1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA SAS (FR) 2018-08-08 EP disclosed
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US disclosed
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US disclosed
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US disclosed
CN-105102442-A Quinolines derivatives as novel anticancer agents GENOSCIENCE PHARMA 2015-11-25 CN disclosed
WO-2014147611-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2014-09-25 WO disclosed
EP-1377554-A1 ANTAGONISM OF IMMUNOSTIMULATORY CPG-OLIGONUCLEOTIDES BY 4-AMINOQUINOLINES AND OTHER WEAK BASES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2004-01-07 EP disclosed
US-6479504-B1 USED IN PREVENTATIVE AND THERAPEUTIC TREATMENTS OF AUTOIMMUNE DISEASES AND PHENOMENA, TRANSPLANT REJECTION SUCH AS HOST-VERSUS-GRAFT DISEASE, AND SEPSIS THE UNIVERSITY OF IOWA RESEARCH FOUNDATION 2002-11-12 US disclosed
WO-2000076982-A1 ANTAGONISM OF IMMUNOSTIMULATORY CPG-OLIGONUCLEOTIDES BY 4-AMINOQUINOLINES AND OTHER WEAK BASES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2000-12-21 WO 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 (2 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-10179770-B2 Quinolines derivatives as novel anticancer agents NQO2, MKI67, NQO1 KDM4E 979/4885ALDH1A1 1658/4885LMNA 2412/4885
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS NQO2, MKI67, NQO1 KDM4E 979/4885ALDH1A1 1658/4885LMNA 2412/4885

“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.