SCHEMBL451682

SCHEMBL451682

NN(C(=S)S)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL28394454 0.68 ALDH1A1 (0.40) ALDH1A1MAPTHPGDKDM4ETP53
SCHEMBL6943884 0.67 L3MBTL1 (0.33) ALDH1A1
SCHEMBL5648812 0.65 ALDH1A1 (0.35) ALDH1A1HPGDCYP1A2MAPK1SMN1; SMN2
SCHEMBL3333025 0.65 ALDH1A1 (0.32) ALDH1A1MAPTHPGDKDM4ETP53
SCHEMBL1428601 0.63 CHRM2 (0.33) ALDH1A1CYP1A2CYP3A4MAPK1CYP2C19
N-Methylpiperidine SCHEMBL28912563 0.63 ALDH1A1 (0.34) ALDH1A1MAPTHPGDKDM4ETP53
SCHEMBL28916835 0.62
SCHEMBL27867382 0.62 CA1 (0.35) ALDH1A1MAPTHPGDKDM4ETP53
SCHEMBL5872723 0.61
SCHEMBL9872349 0.60 F2 (0.33) ALDH1A1MAPTHPGDKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065365-A1 Stable Radiopharmaceutical Compositions and Methods for Their Preparation BRACCO IMAGING S.P.A. (IT) 2012-03-15 US claimed
US-20110206606-A1 STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION BRACCO IMAGING S.P.A. (IT) 2011-08-25 US claimed
US-20070269375-A1 Stable Radiopharmaceutical Compositions and Methods for Preparation BRACCO IMAGING S.P.A. (IT) 2007-11-22 US claimed
EP-1654005-A2 STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION BRACCO IMAGING S.p.A. (IT) 2006-05-10 EP claimed
WO-2005009393-A2 STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION BRACCO IMAGING S.P.A. (IT) 2005-02-03 WO claimed
US-11186730-B2 Chromium-free coating composition with anti-corrosive effect for metallic substrates AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2021-11-30 US disclosed
EP-3548567-B1 AQUEOUS CHROMIUM-FREE COATING COMPOSITION WITH ANTI-CORROSIVE EFFECT FOR METALLIC SUBSTRATES AKZO NOBEL COATINGS INT BV (NL) 2020-07-22 EP disclosed
EP-3548567-A1 CHROMIUM-FREE COATING COMPOSITION WITH ANTI-CORROSIVE EFFECT FOR METALLIC SUBSTRATES Akzo Nobel Coatings International B.V. (NL) 2019-10-09 EP disclosed
WO-2018099942-A1 CHROMIUM-FREE COATING COMPOSITION WITH ANTI-CORROSIVE EFFECT FOR METALLIC SUBSTRATES AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2018-06-07 WO disclosed
US-20120065365-A1 Stable Radiopharmaceutical Compositions and Methods for Their Preparation BRACCO IMAGING S.P.A. (IT) 2012-03-15 US disclosed
US-20110206606-A1 STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION BRACCO IMAGING S.P.A. (IT) 2011-08-25 US disclosed
US-20070269375-A1 Stable Radiopharmaceutical Compositions and Methods for Preparation BRACCO IMAGING S.P.A. (IT) 2007-11-22 US disclosed
EP-1654005-A2 STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION BRACCO IMAGING S.p.A. (IT) 2006-05-10 EP disclosed
WO-2005009393-A2 STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION BRACCO IMAGING S.P.A. (IT) 2005-02-03 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 (3 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-20110206606-A1 STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION GRPR, GIPR, SSTR3 ALDH1A1 3841/4885MAPT 3594/4885HPGD 1821/4885
US-20120065365-A1 Stable Radiopharmaceutical Compositions and Methods for Their Preparation GRPR, GIPR, SSTR3 ALDH1A1 3785/4885MAPT 3921/4885HPGD 1820/4885
US-20070269375-A1 Stable Radiopharmaceutical Compositions and Methods for Preparation GRPR, GIPR, SSTR3 ALDH1A1 3841/4885MAPT 3594/4885HPGD 1821/4885

“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.