SCHEMBL4436075

SCHEMBL4436075

[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])nc(SC)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL5353299 0.84 LMNA (0.45) KMT2AMEN1HTTTHRBALDH1A1
SCHEMBL14026680 0.75 PDE2A (0.45) ALDH1A1KDM4ELMNATSHRSMN1; SMN2
SCHEMBL10728064 0.72 KMT2A (0.59) KMT2AMEN1HTTTHRBALDH1A1
SCHEMBL8721091 0.71 ADORA2A (0.40) KMT2AMEN1HTTTHRBALDH1A1
SCHEMBL991954 0.71 POLB (0.44) KMT2AMEN1HTTTHRBALDH1A1
SCHEMBL8182271 0.71 KMT2A (0.45) KMT2AMEN1HTTTHRBALDH1A1
SCHEMBL14180415 0.70 KMT2A (0.51) KMT2AMEN1HTTTHRBALDH1A1
SCHEMBL13064252 0.68 KMT2A (0.39) KMT2AMEN1HTTTHRBALDH1A1
SCHEMBL13021074 0.68 POLB (0.41) KMT2AMEN1HTTTHRBALDH1A1
SCHEMBL13868452 0.68 KMT2A (0.46) KMT2AMEN1HTTTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118073-A2 SELECTIVE ENDOTHELIN TYPE-A ANTAGONISTS Concert Pharmaceuticals Inc. (US) 2009-11-18 EP disclosed
US-20080262006-A1 Selective endothelin type-a antagonists CONCERT PHARMACEUTICALS, INC. 2008-10-23 US disclosed
US-20080262006-A1 Selective endothelin type-a antagonists CONCERT PHARMACEUTICALS, INC. 2008-10-23 US disclosed
WO-2008097468-A2 SELECTIVE ENDOTHELIN TYPE-A ANTAGONISTS CONCERT PHARMACEUTICALS, INC. (US) 2008-08-14 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-20080262006-A1 Selective endothelin type-a antagonists EDNRA, EDNRB, ECE1 KMT2A 2669/4885MEN1 1224/4885HTT 584/4885

“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.