SCHEMBL128380

SCHEMBL128380

C=CCn1c(=O)cc[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA2B P29275 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 2/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PLK1 P53350 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL26948699 0.81 ALDH1A1 (0.49) CYP3A4KMT2ASMN1; SMN2ADORA2BADORA2A
SCHEMBL6049268 0.78
SCHEMBL4348692 0.77 ADRA1D (0.37) KMT2ACYP1A2MEN1
SCHEMBL26034489 0.76 TYMP (0.36) CYP3A4KMT2ASMN1; SMN2ADORA2AALDH1A1
SCHEMBL490624 0.75
SCHEMBL18426909 0.74
SCHEMBL669512 0.74
SCHEMBL8377767 0.74 ADRA1D (0.31)
SCHEMBL1923337 0.74 CYP1A2 (0.44) CYP3A4KMT2ASMN1; SMN2ADORA2BADORA2A
SCHEMBL8377755 0.74 TYMP (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020160969-A1 Nucleosides and oligonucleotides containing boron clusters DEPARTMENT OF VETERANS AFFAIRS 2002-10-31 US claimed
EP-1113020-A2 Nucleosides and oligonucleotides containing boron clusters EMORY UNIVERSITY (US) 2001-07-04 EP claimed
US-6180766-B1 OLIGONUCLEOTIDE WITH UNCHARGED INTERNUCLEOTIDE LINKAGE(S) OF 3',5'-O,O-((CARBORAN-1-YL-METHYL)PHOSPHONATE); MADE BY REACTING O-METHYL(O-CARBORAN-1-YL)METHYL PHOSPHONATE WITH PROTECTED NUCLEOSIDE; USE IN BORON NEUTRON CAPTURE THERAPY DEPARTMENT OF VETERANS AFFAIRS 2001-01-30 US claimed
EP-0788364-A4 TREATMENT OF UROGENITAL CANCER WITH BORON NEUTRON CAPTURE THERAPY UNIV EMORY (US) 1998-05-06 EP claimed
EP-0788364-A1 TREATMENT OF UROGENITAL CANCER WITH BORON NEUTRON CAPTURE THERAPY EMORY UNIVERSITY (US) 1997-08-13 EP claimed
EP-0731808-A4 NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS UNIV EMORY (US) 1997-04-02 EP claimed
US-5599796-A USING BORON CLUSTER-CONTAINING NUCLEOSIDES OR OLIGONUCLEOTIDES; PARTICULARLY EFFECTIVE FOR BLADDER, PROSTATE AND KIDNEY EMORY UNIVERSITY (US) 1997-02-04 US claimed
EP-0731808-A1 NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS EMORY UNIVERSITY (US) 1996-09-18 EP claimed
WO-1996014073-A1 TREATMENT OF UROGENITAL CANCER WITH BORON NEUTRON CAPTURE THERAPY EMORY UNIVERSITY (US) 1996-05-17 WO claimed
WO-1995015333-A1 NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS EMORY UNIVERSITY (US) 1995-06-08 WO claimed
US-20230399423-A1 POLYMERIC DISINFECTANTS AND USES THEREOF TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2023-12-14 US disclosed
US-20230399423-A1 POLYMERIC DISINFECTANTS AND USES THEREOF TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2023-12-14 US disclosed
CN-107001697-B Novel coupled uracil compounds for vinyl chloride polymer resins 路博润先进材料公司 2019-06-28 CN disclosed
CN-107001697-A Novel Coupled Uracil Compounds for Vinyl Chloride Polymer Resins 路博润先进材料公司 2017-08-01 CN disclosed
CN-103068834-B Phosphoramidites for reverse RNA synthesis 坎姆根公司 2016-10-26 CN disclosed
EP-0731808-A1 NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS EMORY UNIVERSITY (US) 1996-09-18 EP disclosed
WO-1996014073-A1 TREATMENT OF UROGENITAL CANCER WITH BORON NEUTRON CAPTURE THERAPY EMORY UNIVERSITY (US) 1996-05-17 WO disclosed
EP-0402272-B1 Cell-culturing substrate, cell-culturing substrate unit bioreactor and extracorporeal circulation type therapeutic apparatus TERUMO CORP (JP) 1995-10-04 EP disclosed
WO-1995015333-A1 NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS EMORY UNIVERSITY (US) 1995-06-08 WO disclosed
EP-0402272-A2 Cell-culturing substrate, cell-culturing substrate unit bioreactor and extracorporeal circulation type therapeutic apparatus TERUMO KABUSHIKI KAISHA (JP) 1990-12-12 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 (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-20020160969-A1 Nucleosides and oligonucleotides containing boron clusters NUDT1, NTPCR, NAMPT CYP3A4 4750/4885KMT2A 3357/4885SMN1; SMN2 604/4885
US-20230399423-A1 POLYMERIC DISINFECTANTS AND USES THEREOF CUTA, PRKDC, PIK3C3 CYP3A4 1547/4885KMT2A 388/4885SMN1; SMN2 4282/4885

“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.