SCHEMBL934534

SCHEMBL934534

CCC(=O)N(Cc1cccc(-c2ccccc2)c1)c1cccc(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.52
AOC3 Q16853 1/20 0.46
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LTB4R2 Q9NPC1 3/20 0.45
KCNN4 O15554 1/20 0.45
KCNA5 P22460 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
STAT3 P40763 1/20 0.45
PTPRS Q13332 1/20 0.45
JAK2 O60674 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
PTGES O14684 2/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL934678 0.92 LTB4R2 (0.54) PTGDR2NPC1MEN1KMT2ALTB4R2
SCHEMBL934148 0.92 PTGDR2 (0.54) PTGDR2NPC1MEN1KMT2ALTB4R2
SCHEMBL934124 0.91 PTGDR2 (0.46) PTGDR2PTPN2PTPN1STAT3PTPRS
SCHEMBL934520 0.87 PDK1 (0.51) PTGDR2PDK1
SCHEMBL934199 0.86 PTGDR2 (0.56) PTGDR2NPC1MEN1KMT2ALTB4R2
SCHEMBL934130 0.85 PTGDR2 (0.43) PTGDR2PTPN2PTPN1STAT3PTPRS
SCHEMBL935192 0.85 PTGDR2 (0.57) PTGDR2NPC1MEN1KMT2ALTB4R2
SCHEMBL933849 0.85 PTGDR2 (0.43) PTGDR2NPC1MEN1KMT2ALTB4R2
SCHEMBL933859 0.83 PTGDR2 (0.58) PTGDR2NPC1ALDH1A1RAB9APTGES
SCHEMBL934502 0.82 PTGDR2 (0.59) PTGDR2LTB4R2PTGES

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 548/4885AOC3 626/4885NPC1 849/4885

“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.