SCHEMBL956910

SCHEMBL956910

CCC(=O)N(Cc1c(-c2ccccc2)noc1C)c1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.47
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.38
PLA2G1B P04054 1/20 0.38
MAPT P10636 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
GABRA5 P31644 1/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
GHSR Q92847 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL951863 0.85 PTGDR2 (0.47) PTGDR2ALDH1A1MAPTHPGDUSP2
SCHEMBL950666 0.82 PTGDR2 (0.67) PTGDR2ALDH1A1
SCHEMBL951429 0.81 PTGDR2 (0.61) PTGDR2
SCHEMBL951283 0.80 PTGDR2 (0.48) PTGDR2
SCHEMBL951203 0.80 PTGDR2 (0.52) PTGDR2
SCHEMBL951485 0.80 PTGDR2 (0.48) PTGDR2ALDH1A1HPGDUSP2ALOX15
SCHEMBL950304 0.80 PTGDR2 (0.68) PTGDR2ALDH1A1HPGDUSP2ALOX15
SCHEMBL952104 0.80 PTGDR2 (0.60) PTGDR2
SCHEMBL933413 0.79 ALDH1A1 (0.50) PTGDR2TSHRALDH1A1PLA2G1BMAPT
SCHEMBL10146225 0.79 PTGDR2 (0.47) PTGDR2ALDH1A1HPGDUSP2ALOX15

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 548/4885TSHR 2284/4885ALDH1A1 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.