SCHEMBL934733

SCHEMBL934733

CCC(=O)N(Cc1ccsc1)c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.45
CHRM1 P11229 4/20 0.45
CHRM3 P20309 4/20 0.45
PDK1 Q15118 2/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.40
KCNN4 O15554 1/20 0.40
KCNA5 P22460 1/20 0.40
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
LTB4R2 Q9NPC1 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
SCHEMBL933416 0.89 LTB4R2 (0.47) CHRM2CHRM1CHRM3PTGDR2LTB4R2
SCHEMBL934148 0.84 PTGDR2 (0.54) PTGDR2KCNN4KCNA5MEP1AMEP1B
SCHEMBL934199 0.83 PTGDR2 (0.56) PDK1PTGDR2KCNN4KCNA5MEP1A
SCHEMBL933849 0.82 PTGDR2 (0.43) CHRM2CHRM1CHRM3PDK1PTGDR2
SCHEMBL935192 0.82 PTGDR2 (0.57) PTGDR2MEP1AMEP1BMEN1NPC1
SCHEMBL934534 0.81 PTGDR2 (0.52) PDK1PTGDR2KCNN4KCNA5MEP1A
SCHEMBL2681451 0.81 LTB4R2 (0.44) PTGDR2KCNN4KCNA5MEP1AMEP1B
SCHEMBL934647 0.81 PTGDR2 (0.46) PDK1PTGDR2KCNN4KCNA5MEP1A
SCHEMBL933200 0.81 PTGDR2 (0.56) PTGDR2KCNN4KCNA5MEN1NPC1
SCHEMBL933859 0.81 PTGDR2 (0.58) CHRM2CHRM1CHRM3PTGDR2NPC1

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 CHRM2 2289/4885CHRM1 1918/4885CHRM3 1055/4885

“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.