SCHEMBL933907

SCHEMBL933907

CCC(=O)N(Cc1c(C)noc1-c1ccccc1)c1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.41
TRPA1 O75762 1/20 0.40
SLC6A9 P48067 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
KCNN4 O15554 1/20 0.39
KCNA5 P22460 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TP53 P04637 1/20 0.37
F11 P03951 1/20 0.37

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
SCHEMBL933413 0.84 ALDH1A1 (0.50) PTGDR2ALDH1A1POLBKCNN4KCNA5
SCHEMBL951863 0.79 PTGDR2 (0.47) PTGDR2SLC6A9ALDH1A1POLBSMN1; SMN2
SCHEMBL933571 0.79 PTGDR2 (0.46) PTGDR2HDAC1HDAC8HDAC6NR3C2
SCHEMBL951385 0.78 PTGDR2 (0.39) PTGDR2ALDH1A1POLBKCNN4KCNA5
SCHEMBL934678 0.78 LTB4R2 (0.54) PTGDR2ALDH1A1KCNN4KCNA5PTPN2
SCHEMBL934437 0.78 HDAC1 (0.47) PTGDR2HDAC1HDAC8HDAC6NR3C2
SCHEMBL934148 0.77 PTGDR2 (0.54) PTGDR2ALDH1A1KCNN4KCNA5SMN1; SMN2
SCHEMBL934534 0.77 PTGDR2 (0.52) PTGDR2ALDH1A1KCNN4KCNA5PTPN2
SCHEMBL934647 0.72 PTGDR2 (0.46) PTGDR2ALDH1A1KCNN4KCNA5HDAC1
SCHEMBL934199 0.72 PTGDR2 (0.56) PTGDR2ALDH1A1KCNN4KCNA5USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 PTGDR2 548/4885TRPA1 72/4885SLC6A9 2458/4885

“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.