SCHEMBL996126

SCHEMBL996126

N#Cc1ccc(-c2cc(C#N)ccc2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
TSHR P16473 1/20 0.50
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
CYP19A1 P11511 3/20 0.46
METAP2 P50579 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP11B2 P19099 2/20 0.43
ABCB1 P08183 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP3 P08254 1/20 0.42
PDK2 Q15119 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL31741945 1.00 PTGDR2 (0.50) PTGDR2TSHRGABRA1GABRG2GABRB3
SCHEMBL31741946 1.00 PTGDR2 (0.50) PTGDR2TSHRGABRA1GABRG2GABRB3
SCHEMBL3422472 0.96 PTGDR2 (0.53) PTGDR2TSHRGABRA1GABRG2GABRB3
SCHEMBL20740894 0.92 PTGDR2 (0.50) PTGDR2TSHRGABRA1GABRG2GABRB3
SCHEMBL13682554 0.90 GABRA1 (0.50) PTGDR2TSHRGABRA1GABRG2GABRB3
SCHEMBL10929186 0.90 GABRA1 (0.50) PTGDR2TSHRGABRA1GABRG2GABRB3
SCHEMBL12855308 0.88 PTGDR2 (0.50) PTGDR2TSHRGABRA1GABRG2GABRB3
SCHEMBL25774578 0.88 ABCG2 (0.51) PTGDR2TSHRCYP19A1METAP2ABCB1
SCHEMBL25774610 0.88 MAPK1 (0.47) PTGDR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL3422469 0.87 TSHR (0.59) PTGDR2TSHRGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456555-A1 METHOD FOR OXIDIZING METHANE Studiengesellschaft Kohle MbH (DE) 2012-05-30 EP claimed
US-20120130071-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2012-05-24 US claimed
WO-2011009429-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-01-27 WO claimed
EP-2456555-A1 METHOD FOR OXIDIZING METHANE Studiengesellschaft Kohle MbH (DE) 2012-05-30 EP disclosed
US-20120130071-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2012-05-24 US disclosed
WO-2011009429-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-01-27 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-20120130071-A1 METHOD FOR OXIDIZING METHANE TST, MGMT, PMS2 PTGDR2 3004/4885TSHR 3773/4885GABRA1 3393/4885

“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.