SCHEMBL934076

SCHEMBL934076

COc1cccc(CNc2cccc(C#N)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.54
NOS1 P29475 2/20 0.52
HDAC4 P56524 2/20 0.51
MEF2D Q14814 2/20 0.51
MCHR1 Q99705 1/20 0.51
VNN1 O95497 1/20 0.51
ACP1 P24666 1/20 0.48
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
RAB9A P51151 2/20 0.47
CHRM2 P08172 1/20 0.47
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL934511 0.87 VNN1 (0.58) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL6695006 0.85 MAPT (0.68) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL24097464 0.85 MAPT (0.68) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL6691560 0.82 NOS1 (0.58) MAPTKDM4EALDH1A1NOS1HDAC4
SCHEMBL1680823 0.81 LMNA (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL30373777 0.81 HIF1A (0.76) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL1134085 0.81 HIF1A (0.76) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL34462781 0.80 CLK4 (0.56) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5181482 0.80 HDAC1 (0.48) MAPTMEN1KMT2AHIF1ANOS1
SCHEMBL7152039 0.80 VNN1 (0.61) MAPTKDM4EALDH1A1GAAVNN1

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 MAPT 1446/4885KDM4E 3121/4885ALDH1A1 184/4885

“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.