SCHEMBL819087

SCHEMBL819087

N#Cc1cccc2c1-c1c(C#N)cccc1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
TRPA1 O75762 2/20 0.43
DRD2 P14416 3/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
HPN P05981 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
PDE4A P27815 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL1036253 0.86 DRD2 (0.46) KCNH2TRPA1DRD2HTR2BTSHR
SCHEMBL17954603 0.81 DRD2 (0.46) KCNH2TRPA1DRD2ALDH1A1KDM4E
SCHEMBL28571180 0.80 MAOA (0.55) KCNH2DRD2ALDH1A1KDM4EHTR2A
SCHEMBL17954602 0.78 TRPA1 (0.42) KCNH2TRPA1DRD2HTR2AHTR2C
SCHEMBL11677346 0.78 TRPA1 (0.42) KCNH2TRPA1DRD2HTR2AHTR2C
SCHEMBL4923692 0.78 TRPA1 (0.53) TRPA1DRD2ALDH1A1KDM4EHTR2A
SCHEMBL23862771 0.77 KCNH2 (0.41) KCNH2DRD2DRD4CA1CA2
Ammonia Solution, Strong SCHEMBL28771343 0.76 TRPA1 (0.51) KCNH2TRPA1DRD2ALDH1A1KDM4E
SCHEMBL17953610 0.76 TSHR (0.46) KCNH2TRPA1DRD2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3574165 0.74 TRPA1 (0.53) KCNH2TRPA1DRD2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP claimed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US claimed
US-10081688-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2018-09-25 US disclosed
US-20170002112-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-05 US disclosed
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP disclosed
US-9447213-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2016-09-20 US disclosed
US-20160218300-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-07-28 US disclosed
US-20140275403-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2014-09-18 US disclosed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US disclosed
CN-102361888-B Polymers functionalized with polycyano compounds BRIDGESTONE CORP 2013-11-20 CN disclosed
US-20110288200-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2011-11-24 US disclosed
EP-2382241-A2 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085631-A2 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-07-29 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-20160218300-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, OSBP KCNH2 816/4885TRPA1 42/4885DRD2 522/4885

“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.