SCHEMBL933200

SCHEMBL933200

CCC(=O)N(Cc1ccc(F)cc1)c1cccc(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.56
LTB4R2 Q9NPC1 8/20 0.47
NSD2 O96028 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
VNN1 O95497 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
KCNN4 O15554 1/20 0.41
KCNA5 P22460 1/20 0.41

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
SCHEMBL935192 0.89 PTGDR2 (0.57) PTGDR2LTB4R2MEN1KMT2ANPC1
SCHEMBL934148 0.89 PTGDR2 (0.54) PTGDR2LTB4R2MEN1KMT2ANPC1
SCHEMBL2681451 0.88 LTB4R2 (0.44) PTGDR2LTB4R2HDAC1HDAC8HDAC6
SCHEMBL934095 0.87 PTGDR2 (0.58) PTGDR2LTB4R2HDAC1HDAC8HDAC6
SCHEMBL934678 0.87 LTB4R2 (0.54) PTGDR2LTB4R2MEN1KMT2ANPC1
SCHEMBL933865 0.86 PTGDR2 (0.58) PTGDR2LTB4R2VNN1MEN1KMT2A
SCHEMBL934647 0.85 PTGDR2 (0.46) PTGDR2LTB4R2HDAC1HDAC8HDAC6
SCHEMBL935012 0.85 PTGDR2 (0.58) PTGDR2LTB4R2HDAC1HDAC8HDAC6
SCHEMBL934508 0.84 PTGDR2 (0.50) PTGDR2LTB4R2HDAC1HDAC8HDAC6
SCHEMBL934199 0.83 PTGDR2 (0.56) PTGDR2LTB4R2MEN1KMT2ANPC1

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 548/4885LTB4R2 51/4885NSD2 4140/4885

“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.