SCHEMBL993781

SCHEMBL993781

C=CCOC(=O)NCc1ccc(CBr)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.52
TGM2 P21980 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ERN1 O75460 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRSS1 P07477 1/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
PLAU P00749 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL992370 0.86 CASP1 (0.53) CASP1TGM2ALDH1A1MEN1KMT2A
SCHEMBL991807 0.86 CASP1 (0.53) CASP1TGM2ALDH1A1MEN1KMT2A
SCHEMBL13978206 0.84 TPSAB1 (0.55) CASP1TGM2ALDH1A1MEN1KMT2A
SCHEMBL13977813 0.84 CASP1 (0.52) CASP1TGM2ALDH1A1MEN1KMT2A
SCHEMBL13978142 0.84 MAPT (0.53) CASP1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL13533564 0.84 CASP1 (0.52) CASP1TGM2ALDH1A1MEN1KMT2A
SCHEMBL7624194 0.84 CASP1 (0.68) CASP1ALDH1A1CYP3A4MAPTPLAU
SCHEMBL992356 0.83 CASP1 (0.51) CASP1TGM2ALDH1A1MEN1KMT2A
SCHEMBL8870036 0.83 CSNK2A2 (0.54) CASP1ALDH1A1MEN1KMT2ACSNK2A2
SCHEMBL992013 0.82 CASP1 (0.50) CASP1TGM2ALDH1A1MEN1KMT2A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451776-B1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2019-09-18 EP disclosed
US-9732047-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-08-15 US disclosed
US-9732047-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-08-15 US disclosed
EP-2240206-B1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2017-03-22 EP disclosed
EP-2240206-B1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2017-03-22 EP disclosed
US-20170029386-A9 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-02-02 US disclosed
US-20170029386-A9 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-02-02 US disclosed
US-9393329-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2016-07-19 US disclosed
US-9393329-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2016-07-19 US disclosed
US-20160185737-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2016-06-30 US disclosed
US-8852553-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2014-10-07 US disclosed
US-20130315822-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2013-11-28 US disclosed
US-8361438-B2 N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-29 US disclosed
US-20120328514-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2012-12-27 US disclosed
US-20120328514-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2012-12-27 US disclosed
EP-2451776-A2 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2012-05-16 EP disclosed
WO-2011005322-A2 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2011-01-13 WO disclosed
EP-2240206-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2010-10-20 EP disclosed
US-20090252676-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC (US) 2009-10-08 US disclosed
WO-2009089022-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2009-07-16 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 (5 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-20170029386-A9 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885TGM2 598/4885ALDH1A1 1479/4885
US-20130315822-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885TGM2 598/4885ALDH1A1 1479/4885
US-20160185737-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885TGM2 598/4885ALDH1A1 1479/4885
US-20120328514-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885TGM2 598/4885ALDH1A1 1479/4885
US-20090252676-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CASP1 427/4885TGM2 598/4885ALDH1A1 1479/4885

“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.