SCHEMBL5763304

SCHEMBL5763304

Cc1ccc(-c2c(O)nc(-c3ncccn3)nc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
COMT P21964 1/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
CYP19A1 P11511 2/20 0.39
ALOX5 P09917 1/20 0.38
IDH1 O75874 1/20 0.38
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
SLC6A7 Q99884 1/20 0.36
USP7 Q93009 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
CDC7 O00311 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL12628231 0.79 MEN1 (0.50) MEN1KMT2ATP53PKMNPC1
SCHEMBL5761205 0.79 L3MBTL1 (0.42) MEN1KMT2ATP53PKMCYP19A1
SCHEMBL4065414 0.79 NPC1 (0.51) MEN1KMT2ATP53NPC1SMN1; SMN2
SCHEMBL2556575 0.74 CLK4 (0.58) MEN1KMT2ACOMTTP53PKM
SCHEMBL7812578 0.73 ALOX5 (0.39) MEN1KMT2AALOX5SMN1; SMN2RAB9A
SCHEMBL4058284 0.72 MEN1 (0.41) MEN1KMT2ACOMTALOX5SMN1; SMN2
SCHEMBL5761897 0.72 DHPS (0.44) MEN1KMT2ATP53PKMNPC1
SCHEMBL25954435 0.72 CLK4 (0.56) MEN1KMT2ACOMTTP53PKM
SCHEMBL27256810 0.71 ALDH1A1 (0.47) MEN1KMT2ACOMTTP53PKM
SCHEMBL5761894 0.70 IKBKB (0.41) MEN1KMT2APKMNPC1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309564-B1 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-14 EP disclosed
US-6951856-B2 Arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2005-10-04 US disclosed
US-20030220359-A1 Novel arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2003-11-27 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-20030220359-A1 Novel arylethene-sulfonamides EDNRA, ECE2, ECE1 MEN1 3709/4885KMT2A 2406/4885COMT 1623/4885

“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.