SCHEMBL620114

SCHEMBL620114

CN(C)c1ccc(-c2cnc(-c3cc[c]cc3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 5/20 0.48
HPGD P15428 5/20 0.48
MEN1 O00255 4/20 0.48
HSD17B10 Q99714 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 3/20 0.48
TP53 P04637 2/20 0.48
STAT1 P42224 1/20 0.48
MITF O75030 1/20 0.45
APP P05067 2/20 0.43
MAPT P10636 3/20 0.41
NOTUM Q6P988 1/20 0.41
NFKB1 P19838 2/20 0.40

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
SCHEMBL11516136 0.85 TSHR (0.62) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL13600370 0.84 RAB9A (0.67) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL14140425 0.84 ALOX15 (0.54) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL1809702 0.84 ALOX15 (0.74) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL4879301 0.84 ALOX15 (0.74) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL12573258 0.83 APP (0.64) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL12573259 0.83 HSD17B1 (0.57) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL13662152 0.81 TSHR (0.50) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL13657992 0.81 PTPN1 (0.53) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL24158197 0.79 CYP2A6 (0.54) ALOX15TSHRCASP1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 US disclosed
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use LIFE TECHNOLOGIES CORP (US) 2016-05-19 US disclosed
US-8865891-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2014-10-21 US disclosed
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2013-04-11 US disclosed
US-8318450-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2012-11-27 US disclosed
US-20120040380-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-02-16 US disclosed
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-02-19 US disclosed
EP-1711504-A2 DERIVATIVES OF CEPHALOSPORIN AND CLAVULANIC ACID FOR DETECTING BETA-LACTAMASE IN A SAMPLE Molecular Probes Inc. (US) 2006-10-18 EP disclosed
WO-2005071096-A9 DERIVATIVES OF CEPHALOSPORIN AND CLAVULANIC ACID FOR DETECTING BETA-LACAMASE IN A SAMPLE 2006-02-02 WO disclosed
US-20050227309-A1 Optically-detectable enzyme substrates and their method of use MOLECULAR PROBES, INC. 2005-10-13 US disclosed
WO-2005071096-A2 DERIVATIVES OF CEPHALOSPORIN AND CLAVULANIC ACID FOR DETECTING BETA-LACAMASE IN A SAMPLE MOLECULAR PROBES, INC. (US) 2005-08-04 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-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA ALOX15 1181/4885TSHR 3175/4885CASP1 4653/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA ALOX15 1181/4885TSHR 3175/4885CASP1 4653/4885
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA ALOX15 1181/4885TSHR 3175/4885CASP1 4653/4885
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA ALOX15 1181/4885TSHR 3175/4885CASP1 4653/4885
US-20050227309-A1 Optically-detectable enzyme substrates and their method of use MGAM, LCT, GAA ALOX15 1181/4885TSHR 3175/4885CASP1 4653/4885

“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.