SCHEMBL4863921

SCHEMBL4863921

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.55
CYP1A2 P05177 2/20 0.55
MAPT P10636 2/20 0.52
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 5/20 0.51
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL1561753 0.84 HPGD (0.66) HPGDCYP1A2MAPTALOX15ALDH1A1
SCHEMBL4559294 0.78 HPGD (0.66) HPGDCYP1A2MAPTALOX15ALDH1A1
SCHEMBL8701347 0.77 ALOX15 (0.57) HPGDCYP1A2MAPTALOX15ALDH1A1
SCHEMBL28994968 0.75 TSHR (0.64) HPGDMAPTALOX15ALDH1A1L3MBTL1
SCHEMBL9725036 0.74 HPGD (0.61) HPGDCYP1A2MAPTALOX15ALDH1A1
SCHEMBL7870127 0.74 HPGD (0.66) HPGDCYP1A2MAPTALOX15ALDH1A1
SCHEMBL461826 0.74 HPGD (0.66) HPGDCYP1A2MAPTALOX15ALDH1A1
SCHEMBL8693658 0.74 HPGD (0.52) HPGDCYP1A2MAPTALOX15ALDH1A1
Anthranilic Acid SCHEMBL28965727 0.74 HPGD (0.64) HPGDCYP1A2MAPTALOX15ALDH1A1
SCHEMBL28618627 0.73 HPGD (0.64) HPGDCYP1A2MAPTALOX15ALDH1A1

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 HPGD 3628/4885CYP1A2 4828/4885MAPT 4429/4885
US-20040097735-A1 Small technetium-99m and rhenium labeled agents and methods for imaging tumors VHL, MEN1, NRAS HPGD 3628/4885CYP1A2 4828/4885MAPT 4429/4885

“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.