SCHEMBL6047548

SCHEMBL6047548

O=C=NC(N=C=O)c1ccccc1.O=C=NCCCCCCN=C=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.38
NAAA Q02083 4/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KEAP1 Q14145 3/20 0.34
NFE2L2 Q16236 3/20 0.34
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2A Q12879 2/20 0.30

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
SCHEMBL11139629 0.83 ACHE (0.33)
SCHEMBL20146 0.83 MIF (0.40) MIFTSHR
SCHEMBL165792 0.83 MIF (0.40) MIFTSHR
SCHEMBL28219540 0.82 MIF (0.36) MIFNAAAMAOAMAOBKEAP1
SCHEMBL27749125 0.81 MIF (0.39) MIFTSHR
SCHEMBL8434594 0.80 NAAA (0.33) MIFNAAAMAOAMAOBKEAP1
SCHEMBL22444765 0.78 RIPK1 (0.42) MIFNAAA
SCHEMBL22444522 0.78 RIPK1 (0.42) MIFNAAA
SCHEMBL22444535 0.78 RIPK1 (0.42) MIFNAAA
SCHEMBL22444457 0.78 RIPK1 (0.42) MIFNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722230-B2 Polyurethane binder, electrodes containing the same and lithium battery employing the electrodes SAMSUNG SDI CO., LTD. (KR) 2014-05-13 US claimed
EP-1690902-B1 Surface-modified nanoparticles, method for making them and use BYK CHEMIE GMBH (DE) 2012-08-15 EP disclosed
US-20110082151-A1 SULFONYLUREA MODULATORS OF ENDOTHELIN RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
EP-1690902-A2 Surface-modified nanoparticles, method for making them and use Byk-Chemie GmbH (DE) 2006-08-16 EP 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-20110082151-A1 SULFONYLUREA MODULATORS OF ENDOTHELIN RECEPTOR EDNRA, EDNRB, GLP1R MIF 3317/4885NAAA 2234/4885MAOA 3946/4885

“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.