SCHEMBL20351898

SCHEMBL20351898

CSCS(=O)(=O)Nc1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ PCSK9 Q8NBP7 1/20 0.38
▸ HPGD P15428 4/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ TSHR P16473 1/20 0.33

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
SCHEMBL23562355 0.82 EDNRA (0.43) EDNRAACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL5689843 0.75 KDM4E (0.57) EDNRAACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL23874468 0.75 EDNRA (0.39) EDNRAACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL3432475 0.74 EDNRA (0.46) EDNRAACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL30562266 0.74 EDNRA (0.46) EDNRAACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL4740343 0.71 ACHE (0.44) EDNRAACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL20333510 0.70 ACHE (0.48) EDNRAACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL28468524 0.68 PTGS1 (0.45) —
SCHEMBL22355191 0.68 ACHE (0.46) EDNRAACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL15880397 0.66 SMN1; SMN2 (0.56) EDNRAALDH1A1KDM4ESMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-05 — — 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 (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-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH EDNRA 846/4885ACHE 3724/4885ALDH1A1 3393/4885

“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.

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