SCHEMBL934199

SCHEMBL934199

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.56
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 3/20 0.52
JAK2 O60674 1/20 0.52
HTT P42858 1/20 0.52
PAX8 Q06710 1/20 0.52
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEP1A Q16819 1/20 0.43
MEP1B Q16820 1/20 0.43
POLQ O75417 1/20 0.43
LTB4R2 Q9NPC1 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
SCHEMBL934148 0.89 PTGDR2 (0.54) PTGDR2ALDH1A1RAB9ANPC1JAK2
SCHEMBL933849 0.87 PTGDR2 (0.43) PTGDR2ALDH1A1RAB9ANPC1JAK2
SCHEMBL935192 0.87 PTGDR2 (0.57) PTGDR2NPC1KMT2AMEN1MEP1A
SCHEMBL934534 0.86 PTGDR2 (0.52) PTGDR2ALDH1A1RAB9ANPC1JAK2
SCHEMBL933859 0.85 PTGDR2 (0.58) PTGDR2ALDH1A1RAB9ANPC1HPGD
SCHEMBL934502 0.84 PTGDR2 (0.59) PTGDR2LTB4R2GFER
SCHEMBL934733 0.83 CHRM2 (0.45) PTGDR2ALDH1A1NPC1HPGDUSP2
SCHEMBL933200 0.83 PTGDR2 (0.56) PTGDR2NPC1KMT2AMEN1LTB4R2
SCHEMBL934647 0.83 PTGDR2 (0.46) PTGDR2ALDH1A1RAB9ANPC1JAK2
SCHEMBL2681451 0.83 LTB4R2 (0.44) PTGDR2ALDH1A1RAB9ANPC1JAK2

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 548/4885ALDH1A1 184/4885RAB9A 2889/4885

“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.