SCHEMBL4024006

SCHEMBL4024006

NCCc1cccnc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 2/20 0.46
TAAR1 Q96RJ0 6/20 0.41
HMGB1 P09429 1/20 0.41
HRH1 P35367 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.39
BRD4 O60885 1/20 0.38
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9339156 0.90 KDM4E (0.44) KDM4EMAPTCYP1A2HRH1MKNK1
SCHEMBL3673649 0.86 KDM4E (0.46) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL4030545 0.85 KDM4E (0.49) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL3716799 0.84 KDM4E (0.45) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL28252084 0.84 KDM4E (0.45) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL28001171 0.83 KDM4E (0.50) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL2516051 0.81 KDM4E (0.49) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL1503132 0.81 KDM4E (0.49) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL11182436 0.81 KDM4E (0.47) KDM4EMAPTCYP1A2ALDH1A1TSHR
SCHEMBL11042558 0.81 KDM4E (0.43) KDM4EMAPTCYP1A2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312316-A1 NOVEL COMPOUNDS BIOTICA TECHNOLOGY LIMITED (GB) 2009-12-17 US claimed
EP-2023915-A2 BORRELIDIN DERIVATIVES AS ANTIPROLIFERATIVE AGENTS AND ANGIOGENESIS INHIBITORS Biotica Technology Limited (GB) 2009-02-18 EP claimed
WO-2007135078-A2 BORRELIDIN DERIVATIVES AS ANTIPROLIFERATIVE AGENTS AND ANGIOGENESIS INHIBITORS BIOTICA TECHNOLOGY LIMITED (GB) 2007-11-29 WO claimed
EP-0644772-A4 OPIOID PEPTIDES. BIOMEASURE INC (US) 1997-01-29 EP claimed
EP-0644772-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1995-03-29 EP claimed
WO-1994011018-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1994-05-26 WO claimed
US-20090312316-A1 NOVEL COMPOUNDS BIOTICA TECHNOLOGY LIMITED (GB) 2009-12-17 US disclosed
EP-2023915-A2 BORRELIDIN DERIVATIVES AS ANTIPROLIFERATIVE AGENTS AND ANGIOGENESIS INHIBITORS Biotica Technology Limited (GB) 2009-02-18 EP disclosed
WO-2007135078-A2 BORRELIDIN DERIVATIVES AS ANTIPROLIFERATIVE AGENTS AND ANGIOGENESIS INHIBITORS BIOTICA TECHNOLOGY LIMITED (GB) 2007-11-29 WO disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO disclosed
EP-0644772-B1 OPIOID PEPTIDES SOD CONSEILS RECH APPLIC (FR) 2003-04-02 EP disclosed
US-5663295-A ANALGESIC, ANTIDIARRHEA BIOMEASURE INC. (US) 1997-09-02 US disclosed
EP-0644772-A4 OPIOID PEPTIDES. BIOMEASURE INC (US) 1997-01-29 EP disclosed
EP-0644772-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1995-03-29 EP disclosed
WO-1994011018-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1994-05-26 WO disclosed
EP-0556738-A1 Pyridinylcarbonylaminoalkyl-dihydro-oxo-pyridines, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-25 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-20090312316-A1 NOVEL COMPOUNDS CD22, ALDH1A2, BCAP31 KDM4E 3837/4885MAPT 3645/4885CYP1A2 4624/4885

“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.