SCHEMBL4863910

SCHEMBL4863910

C=CC(N)c1c(I)cccc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
PDPK1 O15530 1/20 0.36
PARP1 P09874 8/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 1/20 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
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
BCAT2 O15382 1/20 0.33

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
SCHEMBL4863926 0.77 KEAP1 (0.36) KEAP1NFE2L2PDPK1PARP1KDM4E
SCHEMBL10615477 0.74 PARP1 (0.43) KEAP1NFE2L2PDPK1PARP1KDM4E
SCHEMBL4553803 0.73 KDM4E (0.44) KEAP1NFE2L2PARP1KDM4EALDH1A1
SCHEMBL7161047 0.70 PARP1 (0.44) KEAP1NFE2L2PDPK1PARP1KDM4E
SCHEMBL652047 0.69 ALDH1A1 (0.46) KEAP1NFE2L2PDPK1PARP1KDM4E
SCHEMBL7846834 0.69 PARP1 (0.39) KEAP1NFE2L2PDPK1PARP1KDM4E
SCHEMBL28053292 0.68 ALDH1A1 (0.56) KEAP1NFE2L2PDPK1PARP1KDM4E
SCHEMBL8813905 0.68 ALDH1A1 (0.56) KEAP1NFE2L2PDPK1PARP1KDM4E
SCHEMBL967996 0.68 ALDH1A1 (0.56) KEAP1NFE2L2PDPK1PARP1KDM4E
SCHEMBL2685882 0.67 ALDH1A1 (0.45) KEAP1NFE2L2PDPK1PARP1KDM4E

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 1896/4885PDPK1 4190/4885
US-20040097735-A1 Small technetium-99m and rhenium labeled agents and methods for imaging tumors VHL, MEN1, NRAS KEAP1 1031/4885NFE2L2 1896/4885PDPK1 4190/4885

“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.