SCHEMBL3457326

SCHEMBL3457326

CCN1C=CN(c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.41
MAPT P10636 3/20 0.36
ATM Q13315 1/20 0.36
DRD2 P14416 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
DHFR P00374 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPK1 P28482 1/20 0.33
GSK3B P49841 2/20 0.33
GSK3A P49840 1/20 0.33
ELANE P08246 1/20 0.32
SHMT2 P34897 1/20 0.32
GRM2 Q14416 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5284690 0.85 MAPT (0.45) CHRNA7MAPTATMDRD2SIGMAR1
SCHEMBL17447736 0.83 CYP2D6 (0.35) CHRNA7MAPTATMDRD2SIGMAR1
SCHEMBL27984044 0.82 ALDH1A1 (0.35) MAPTDHFRALOX5ELANEGRM2
SCHEMBL5817537 0.82 MAPT (0.39) MAPTATMDRD2SIGMAR1GRM2
SCHEMBL27926454 0.81 MAPT (0.44) MAPTMAPK1GRM2NPSR1
SCHEMBL28085915 0.81 ESR1 (0.35) MAPTDRD2MAPK1GRM2NPSR1
Bromide SCHEMBL1884091 0.81 ALDH1A1 (0.34) MAPTDHFRELANEGRM2NPSR1
SCHEMBL5297802 0.80 ALDH1A1 (0.40) MAPTATMDRD2SIGMAR1GRM2
Iodide SCHEMBL28359984 0.80 MAPT (0.38) MAPTATMDRD2SIGMAR1GRM2
SCHEMBL28768563 0.80 CYP2D6 (0.37) CHRNA7MAPTSIGMAR1DHFRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218452-A A kind of preparation method of aza ring carbene precursor CHINA PETROLEUM & CHEMICAL 2016-01-06 CN disclosed
US-20100321863-A1 ACTIVATED CARBON AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-23 US disclosed
US-7785495-B2 Activated carbon prepared by carbonizing and activating a calixarene containing dihydroxybenzene rings; especially calcining at 400 degrees C. or less in the presence of an oxidative gas, calcining at 1500 degrees or less in an inactive gas, and then further calcining at 200-1500 degrees in H2O or CO2 SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-31 US disclosed
CN-101535179-A Activated carbon and method for producing the same SUMITOMO CHEMICAL CO (JP) 2009-09-16 CN disclosed
EP-2093191-A1 ACTIVATED CARBON AND METHOD FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-08-26 EP disclosed
US-20090103241-A1 Activated carbon prepared by carbonizing and activating a calixarene containing dihydroxybenzene rings; especially calcining at 400 degrees C. or less in the presence of an oxidative gas, calcining at 1500 degrees or less in an inactive gas, and then further calcining at 200-1500 degrees in H2O or CO2 SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-23 US disclosed
CN-101184691-A Electric double layer capacitor SUMITOMO CHEMICAL CO (JP) 2008-05-21 CN disclosed
EP-1905740-A1 ELECTRIC DOUBLE LAYER CAPACITOR Sumitomo Chemical Company, Limited (JP) 2008-04-02 EP disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 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 (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-20090103241-A1 Activated carbon prepared by carbonizing and activating a calixarene containing dihydroxybenzene rings; especially calcining at 400 degrees C. or less in the presence of an oxidative gas, calcining at 1500 degrees or less in an inactive gas, and then further calcining at 200-1500 degrees in H2O or CO2 CBR1, CYP24A1, CALU CHRNA7 1263/4885MAPT 4867/4885ATM 1430/4885

“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.