SCHEMBL21134826

SCHEMBL21134826

NCC(=O)c1c[nH]c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
LMNA P02545 3/20 0.36
DPYD Q12882 4/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 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

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
SCHEMBL20730463 0.79 GAA (0.39) GAALMNADPYDMAPTALDH1A1
SCHEMBL10808005 0.76 HSD17B3 (0.37) GAALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL22984863 0.76
SCHEMBL18576736 0.75 GAA (0.41) GAALMNADPYDMAPTALDH1A1
SCHEMBL2135245 0.73
SCHEMBL17032997 0.71
SCHEMBL10803521 0.70 TSHR (0.37) GAAMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL20168412 0.67 CYP1A2 (0.58) GAALMNAMAPTALDH1A1ATAD2
SCHEMBL11309162 0.67 CREBBP (0.48) GAALMNADPYDMAPTALDH1A1
SCHEMBL17929165 0.67 GAA (0.39) GAALMNADPYDMAPTALDH1A1

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-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-11-05 US disclosed
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-06-20 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-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 GAA 4022/4885LMNA 1587/4885DPYD 2107/4885
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 GAA 4022/4885LMNA 1587/4885DPYD 2107/4885

“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.