SCHEMBL728548

SCHEMBL728548

N#CCNc1ccccc1NCC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 3/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 3/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.34
CTSS P25774 1/20 0.33

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
SCHEMBL1826516 0.86 MAPT (0.61) MAPTHTTKDM4ETSHRHPGD
SCHEMBL9396474 0.84 MAPT (0.42) MAPTHTTKDM4EHSD17B10TSHR
SCHEMBL9511988 0.84 L3MBTL1 (0.46) KDM4EHPGDALDH1A1L3MBTL1NPSR1
SCHEMBL15486368 0.84 KDM4E (0.61) HTTKDM4EHSD17B10TSHRHPGD
SCHEMBL2863138 0.84 MAPT (0.44) MAPTHTTKDM4EHSD17B10TSHR
SCHEMBL6805636 0.84 MAPT (0.48) MAPTHTTKDM4EHSD17B10HPGD
SCHEMBL7913533 0.81 CA12 (0.55) MAPTKDM4EHSD17B10TSHRHPGD
SCHEMBL4267637 0.81 CHRM2 (0.53) MAPTKDM4EALDH1A1CA2CA9
SCHEMBL11736595 0.80 ALDH1A1 (0.48) MAPTHTTKDM4ETSHRHPGD
Hydrochloric Acid SCHEMBL4898132 0.80 CHRM2 (0.56) MAPTKDM4EALDH1A1CA2CA9

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
EP-1594855-B1 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN INC (US) 2014-01-22 EP disclosed
EP-1509601-B1 FLUORESCENT DETECTION OF PEROXIDASE ENZYMES LUMIGEN INC (US) 2012-12-05 EP disclosed
EP-2305690-B1 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN INC (US) 2012-08-29 EP disclosed
US-8137990-B2 Compositions for chemiluminescent detection of hydrogen peroxide LUMIGEN, INC. (US) 2012-03-20 US disclosed
EP-2305690-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2011-04-06 EP disclosed
US-7704752-B2 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2010-04-27 US disclosed
US-20100055800-A1 Compositions for Chemiluminescent Detection of Hydrogen Peroxide LUMIGEN, INC. (US) 2010-03-04 US disclosed
US-20080261318-A1 Signalling Compounds For Use In Methods Of Detecting Hydrogen Peroxide LUMIGEN, INC. (US) 2008-10-23 US disclosed
US-7390670-B2 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. (US) 2008-06-24 US disclosed
US-6919463-B2 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2005-07-19 US disclosed
US-6897036-B2 Fluorescent detection of peroxidase enzymes LUMIGEN, INC. (US) 2005-05-24 US disclosed
US-20040171098-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN INC. 2004-09-02 US disclosed
US-20040166539-A1 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. 2004-08-26 US disclosed
US-20030232405-A1 Fluorescent detection of peroxidase enzymes LUMIGEN INC. 2003-12-18 US 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-20040171098-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LPO, HAO2, HAO1 MAPT 4885/4885HTT 4773/4885KDM4E 4844/4885

“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.