SCHEMBL17954606

SCHEMBL17954606

N#Cc1ccc(C#N)c2c1Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
MAP3K9 P80192 1/20 0.40
MAP3K11 Q16584 1/20 0.40
SQOR Q9Y6N5 2/20 0.40
MAOA P21397 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
PNMT P11086 1/20 0.37
DRD2 P14416 1/20 0.36
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
ESR2 Q92731 1/20 0.35
AR P10275 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35

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 0.81 DRD2 (0.46) TRPA1SQORMAOAPNMTDRD2
SCHEMBL26402103 0.78 UCHL1 (0.40) MAP3K9MAP3K11SQORDRD2DRD3
SCHEMBL30940563 0.78 TRPA1 (0.50) TRPA1SQORMAOACA1CA2
SCHEMBL1033059 0.78 TRPA1 (0.50) TRPA1SQORMAOACA1CA2
SCHEMBL17954603 0.77 DRD2 (0.46) TRPA1DRD2ESR2HTR1AKCNH2
SCHEMBL17954612 0.77 SQOR (0.40) TRPA1MAP3K9MAP3K11SQORMAOA
SCHEMBL29790375 0.76 AR (0.43) SQORARKCNH2KDM4E
Fluorene SCHEMBL29055454 0.75 MAOA (0.48) TRPA1MAOACA1CA2CA4
SCHEMBL29761258 0.75 SQOR (0.39) TRPA1MAP3K9MAP3K11SQORMAOA
SCHEMBL3923316 0.74 PNMT (0.42) TRPA1SQORMAOACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160218300-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-07-28 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-20160218300-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, OSBP TRPA1 42/4885MAP3K9 2796/4885MAP3K11 3327/4885

“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.