SCHEMBL933849

SCHEMBL933849

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.43
MEP1A Q16819 1/20 0.43
MEP1B Q16820 1/20 0.43
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KCNN4 O15554 1/20 0.40
KCNA5 P22460 1/20 0.40
PDK1 Q15118 1/20 0.40
ALDH1A1 P00352 2/20 0.40
JAK2 O60674 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
USP2 O75604 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL2681451 0.89 LTB4R2 (0.44) PTGDR2MEP1AMEP1BNPC1MEN1
SCHEMBL934148 0.88 PTGDR2 (0.54) PTGDR2MEP1AMEP1BNPC1MEN1
SCHEMBL934199 0.87 PTGDR2 (0.56) PTGDR2MEP1AMEP1BNPC1MEN1
SCHEMBL933905 0.86 PTGDR2 (0.46) PTGDR2NPC1MEN1KMT2APDK1
SCHEMBL935192 0.86 PTGDR2 (0.57) PTGDR2MEP1AMEP1BNPC1MEN1
SCHEMBL934534 0.85 PTGDR2 (0.52) PTGDR2MEP1AMEP1BNPC1MEN1
SCHEMBL933859 0.84 PTGDR2 (0.58) PTGDR2NPC1ALDH1A1RAB9AHPGD
SCHEMBL934502 0.83 PTGDR2 (0.59) PTGDR2LTB4R2
SCHEMBL934733 0.82 CHRM2 (0.45) PTGDR2MEP1AMEP1BNPC1MEN1
SCHEMBL934647 0.82 PTGDR2 (0.46) PTGDR2MEP1AMEP1BNPC1MEN1

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 6 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
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US 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
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 548/4885MEP1A 1164/4885MEP1B 1535/4885

“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.