SCHEMBL465584

SCHEMBL465584

Cn1nc([C]=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
DDB1 Q16531 5/20 0.41
CRBN Q96SW2 5/20 0.41
GPR3 P46089 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ELANE P08246 2/20 0.38
CCR4 P51679 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK13 O15264 1/20 0.37

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
SCHEMBL29794152 0.81 ELANE (0.53) KDM4EDDB1CRBNGPR3HTR2A
SCHEMBL1777889 0.81 ELANE (0.53) KDM4EDDB1CRBNGPR3HTR2A
SCHEMBL22186619 0.77 HTR4 (0.41) ALDH1A1
SCHEMBL19986782 0.74 GPR3 (0.44) KDM4EDDB1CRBNGPR3HTR2A
SCHEMBL29901540 0.74 GPR3 (0.44) KDM4EDDB1CRBNGPR3HTR2A
SCHEMBL15643691 0.72 GLS (0.39) KDM4EGPR3ELANECNR1CNR2
SCHEMBL496589 0.72 KDM4E (0.62) KDM4EELANEALDH1A1CYP3A4TSHR
SCHEMBL30251861 0.72 KDM4E (0.62) KDM4EELANEALDH1A1CYP3A4TSHR
SCHEMBL30506312 0.71 GLS (0.56) KDM4EDDB1CRBNGPR3HTR2A
SCHEMBL147947 0.71 GLS (0.56) KDM4EDDB1CRBNGPR3HTR2A

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 337 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US claimed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 EP claimed
EP-2755983-B1 SUBSTITUTED CARBONYLOXYMETHYLPHOSPHORAMIDATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-15 EP claimed
US-9403863-B2 Substituted carbonyloxymethylphosphoramidate compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS LLC (US) 2016-08-02 US claimed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP claimed
WO-2024145662-A1 2-SUBSTITUTED THIAZOLE AND BENZOTHIAZOLE COMPOSITIONS AND METHODS AS DUX4 INHIBITORS ALTAY THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
US-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME HOLOSMEDIC (KR) 2024-03-28 US disclosed
US-11866515-B2 Hemiasterlin derivatives for conjugation and therapy SUTRO BIOPHARMA, INC. (US) 2024-01-09 US disclosed
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 EP disclosed
US-20050009737-A1 Modified fluorinated nucleoside analogues GILEAD SCIENCES, INC. 2005-01-13 US disclosed
WO-2004046331-A2 2’-BRANCHED NUCLEOSIDES AND FLAVIVIRIDAE MUTATION IDENIX (CAYMAN) LIMITED (KY) 2004-06-03 WO disclosed
US-20040077587-A1 2'-C-methyl-3'-O-L-valine ester ribofuranosyl cytidine for treatment of flaviviridae infections IDENIX PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2004002999-A2 MODIFIED 2' AND 3' -NUCLEOSIDE PRODUGS FOR TREATING FLAVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 WO disclosed
WO-2004002422-A2 2’-C-METHYL-3’-O-L-VALINE ESTER RIBOFURANOSYL CYTIDINE FOR TREATMENT OF FLAVIVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 WO disclosed
WO-2004003000-A2 1’-, 2'- AND 3'- MODIFIED NUCLEOSIDE DERIVATIVES FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 WO disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 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 (6 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-11866515-B2 Hemiasterlin derivatives for conjugation and therapy CYP17A1, HSD17B7, SHBG KDM4E 3122/4885DDB1 3873/4885CRBN 1418/4885
US-20240101562-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME SLC11A2, ABCC1, TSG101 KDM4E 3814/4885DDB1 611/4885CRBN 2338/4885
US-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD KDM4E 4142/4885DDB1 1061/4885CRBN 3707/4885
US-20040077587-A1 2'-C-methyl-3'-O-L-valine ester ribofuranosyl cytidine for treatment of flaviviridae infections NSUN2, BCDIN3D, METTL16 KDM4E 148/4885DDB1 2902/4885CRBN 1253/4885
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS VIP, PNKP, PEPD KDM4E 4142/4885DDB1 1061/4885CRBN 3707/4885
US-20050009737-A1 Modified fluorinated nucleoside analogues NSUN2, NT5C3B, METTL3 KDM4E 1216/4885DDB1 2319/4885CRBN 3339/4885

“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.