SCHEMBL20730463

SCHEMBL20730463

NN(N)C(=O)c1c[nH]c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.38
DPYD Q12882 4/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ATAD2 Q6PL18 1/20 0.34
CYP19A1 P11511 1/20 0.34
TSHR P16473 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
HTT P42858 1/20 0.34
HBB P68871 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21134826 0.79 GAA (0.39) GAAMAPTDPYDLMNAALDH1A1
SCHEMBL22984863 0.76
SCHEMBL2135245 0.73
SCHEMBL17032997 0.71
SCHEMBL10808005 0.68 HSD17B3 (0.37) GAAMAPTLMNAALDH1A1ATAD2
SCHEMBL11309162 0.67 CREBBP (0.48) GAAMAPTDPYDLMNAALDH1A1
SCHEMBL17032986 0.67 GAA (0.39) GAAMAPTDPYDLMNAALDH1A1
SCHEMBL10924690 0.66 HTT (0.39) GAAMAPTLMNATHPOHTT
SCHEMBL7487387 0.64 ALDH1A1 (0.48) GAAMAPTDPYDALDH1A1TSHR
SCHEMBL7438275 0.63 CCND3 (0.44) GAAMAPTTSHRSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550140-B2 Ether compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
US-20190048033-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-02-14 US 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 (2 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-10550140-B2 Ether compounds for treatment of complement mediated disorders TFPI, CFD, C9 GAA 4289/4885MAPT 3823/4885DPYD 3685/4885
US-20190048033-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, C9 GAA 4289/4885MAPT 3823/4885DPYD 3685/4885

“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.