SCHEMBL728547

SCHEMBL728547

Cc1cccc(NC#N)c1NC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.40
PTGS2 P35354 3/20 0.38
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
RECQL P46063 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL11174526 0.87 TSHR (0.41) TSHRMAPTALDH1A1KDM4EMEN1
SCHEMBL8872909 0.80 MAPT (0.48) TSHRMAPTHTTALDH1A1KDM4E
SCHEMBL10881103 0.73 TSHR (0.31) TSHR
SCHEMBL9311569 0.73 CYP2A6 (0.40) TSHRHTTALDH1A1KDM4ELMNA
SCHEMBL11050237 0.71 TSHR (0.36) TSHRKDM4EGAA
SCHEMBL1921293 0.70 RAPGEF4 (0.57) RAPGEF4PTGS2TSHRMAPTHTT
SCHEMBL8985146 0.70 KDM4E (0.41) TSHRMAPTALDH1A1KDM4EMEN1
SCHEMBL4800221 0.69 RAPGEF4 (0.55) RAPGEF4PTGS2MAPTHTTALDH1A1
SCHEMBL10852299 0.67 MEN1 (0.32) TSHRMEN1KMT2A
SCHEMBL7415855 0.67 CYP1A2 (0.48) TSHRMAPTALDH1A1KDM4EMEN1

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 RAPGEF4 3350/4885PTGS2 721/4885TSHR 806/4885

“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.