SCHEMBL3124016

SCHEMBL3124016

COCOc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
RAF1 P04049 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
GFER P55789 1/20 0.52
PAX8 Q06710 1/20 0.52
VCAM1 P19320 15/20 0.49

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
SCHEMBL30922851 0.88 MAPK1 (0.50) ALDH1A1MAPTLMNARAF1HPGD
SCHEMBL4949648 0.84 MAPT (0.62) ALDH1A1MAPTLMNARAF1HPGD
SCHEMBL30178231 0.83 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL13301370 0.83 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL541479 0.82 ALDH1A1 (0.68) ALDH1A1MAPTLMNARAF1HPGD
SCHEMBL7010553 0.81 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL31254041 0.81 ALDH1A1 (0.49) ALDH1A1MAPTLMNAMAPK1VCAM1
SCHEMBL31254046 0.81 ALDH1A1 (0.49) ALDH1A1MAPTLMNAMAPK1VCAM1
SCHEMBL21824111 0.81 MAPT (0.44) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL6831160 0.81 MAPT (0.55) ALDH1A1MAPTLMNAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372380-B2 In vivo imaging of sulfotransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-12 US disclosed
US-8372380-B2 In vivo imaging of sulfotransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-12 US disclosed
US-8372380-B2 In vivo imaging of sulfotransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-12 US disclosed
US-20100135906-A1 IN VIVO IMAGING OF SULFOTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-06-03 US disclosed
US-20100135906-A1 IN VIVO IMAGING OF SULFOTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-06-03 US disclosed
US-20100135906-A1 IN VIVO IMAGING OF SULFOTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-06-03 US disclosed
EP-2171478-A1 IN VIVO IMAGING OF SULFOTRANSFERASES The Regents Of The University Of California (US) 2010-04-07 EP disclosed
WO-2008121407-A1 IN VIVO IMAGING OF SULFOTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-09 WO disclosed
WO-2008121407-A1 IN VIVO IMAGING OF SULFOTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-09 WO disclosed
WO-1992004350-A1 OXYGENATED QUINOXALINES THE UPJOHN COMPANY (US) 1992-03-19 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 (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-20100135906-A1 IN VIVO IMAGING OF SULFOTRANSFERASES SULT1A1, SULT2A1, TPST2 ALDH1A1 232/4885MAPT 1122/4885LMNA 4384/4885

“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.