SCHEMBL951863

SCHEMBL951863

CCC(=O)N(Cc1c(C)noc1-c1ccccc1)c1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.47
SLC6A9 P48067 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL956910 0.85 PTGDR2 (0.47) PTGDR2ALDH1A1MAPTUSP2HPGD
SCHEMBL950666 0.82 PTGDR2 (0.67) PTGDR2ALDH1A1
SCHEMBL951485 0.82 PTGDR2 (0.48) PTGDR2ALDH1A1USP2HPGDALOX15
SCHEMBL951429 0.81 PTGDR2 (0.61) PTGDR2HDAC1HDAC8HDAC6
SCHEMBL951203 0.80 PTGDR2 (0.52) PTGDR2
SCHEMBL951283 0.80 PTGDR2 (0.48) PTGDR2HDAC1HDAC8HDAC6
SCHEMBL952104 0.80 PTGDR2 (0.60) PTGDR2
SCHEMBL933907 0.79 PTGDR2 (0.41) PTGDR2SLC6A9ALDH1A1MAPTUSP2
SCHEMBL10146225 0.79 PTGDR2 (0.47) PTGDR2ALDH1A1USP2HPGDALOX15
SCHEMBL950304 0.78 PTGDR2 (0.68) PTGDR2ALDH1A1USP2HPGDALOX15

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 548/4885SLC6A9 2458/4885ALDH1A1 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.