SCHEMBL4863926

SCHEMBL4863926

C=CC(N)c1cccc(C(N)=O)c1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
PARP1 P09874 6/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.33
METAP2 P50579 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PDPK1 O15530 1/20 0.33
BCAT2 O15382 1/20 0.33
RAB9A P51151 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
LMNA P02545 1/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31

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
SCHEMBL4553803 0.83 KDM4E (0.44) KEAP1NFE2L2PARP1KDM4EALDH1A1
SCHEMBL4863910 0.77 KEAP1 (0.36) KEAP1NFE2L2PARP1KDM4EALDH1A1
SCHEMBL23137413 0.76 IRAK4 (0.43) KEAP1NFE2L2PARP1KDM4EALDH1A1
SCHEMBL652047 0.73 ALDH1A1 (0.46) KEAP1NFE2L2PARP1KDM4EALDH1A1
SCHEMBL461023 0.73 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL7764924 0.72 MMP2 (0.49) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL11036461 0.71 AKT1 (0.42) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL7197042 0.69 KDM4E (0.44) KEAP1NFE2L2PARP1KDM4EALDH1A1
SCHEMBL2212689 0.69 MAPT (0.49) ALDH1A1MAPTHSD17B10GAALMNA
SCHEMBL7846834 0.69 PARP1 (0.39) KEAP1NFE2L2PARP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080226550-A1 SMALL TECHNETIUM-99M AND RHENIUM LABELED AGENTS AND METHODS FOR IMAGING TUMORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-18 US disclosed
US-7321027-B2 Small technetium-99m and rhenium labeled agents and methods for imaging tumors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-01-22 US disclosed
EP-1276718-B1 SMALL TECHNETIUM-99M AND RHENIUM LABELED AGENTS AND METHODS FOR IMAGING TUMORS HARVARD COLLEGE (US) 2007-04-18 EP disclosed
US-20040097735-A1 Small technetium-99m and rhenium labeled agents and methods for imaging tumors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-05-20 US disclosed
EP-1276718-A2 SMALL TECHNETIUM-99M AND RHENIUM LABELED AGENTS AND METHODS FOR IMAGING TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2003-01-22 EP disclosed
WO-2001083436-A2 SMALL TECHNETIUM-99M AND RHENIUM LABELED AGENTS AND METHODS FOR IMAGING TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-11-08 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-20080226550-A1 SMALL TECHNETIUM-99M AND RHENIUM LABELED AGENTS AND METHODS FOR IMAGING TUMORS VHL, MEN1, NRAS KEAP1 1031/4885NFE2L2 1896/4885PARP1 1028/4885
US-20040097735-A1 Small technetium-99m and rhenium labeled agents and methods for imaging tumors VHL, MEN1, NRAS KEAP1 1031/4885NFE2L2 1896/4885PARP1 1028/4885

“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.