SCHEMBL5761897

SCHEMBL5761897

Cc1ccc(-c2c(N)nc(-c3ncccn3)nc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.44
HEXA P06865 2/20 0.41
HEXB P07686 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
DPP4 P27487 2/20 0.38
ADK P55263 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 7/20 0.36
KMT2A Q03164 7/20 0.36
TP53 P04637 2/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 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
SCHEMBL5761205 0.89 L3MBTL1 (0.42) DHPSL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL4063890 0.82 DHPS (0.47) DHPSHEXAHEXBCYP1A2CYP1A1
SCHEMBL5761894 0.79 IKBKB (0.41) DHPSMEN1KMT2APKMNPC1
SCHEMBL4060142 0.75 DHPS (0.54) DHPSHEXAHEXBDPP4ALDH1A1
SCHEMBL14380547 0.73 KMT2A (0.47) L3MBTL1ALDH1A1KDM4EHPGDMEN1
SCHEMBL12628231 0.73 MEN1 (0.50) CYP1A2CYP1A1CYP1B1DPP4L3MBTL1
SCHEMBL5763304 0.72 MEN1 (0.47) ALDH1A1KDM4EMEN1KMT2ATP53
SCHEMBL2867597 0.72 KMT2A (0.66) DHPSDPP4ADKL3MBTL1ALDH1A1
SCHEMBL4066113 0.70 ADK (0.56) HEXAHEXBADKALDH1A1KDM4E
SCHEMBL8660654 0.70 LMNA (0.58) DHPSCYP1A2CYP1A1CYP1B1DPP4

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 5 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
EP-1309564-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-05-14 EP disclosed
WO-2002008200-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-01-31 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-20030220359-A1 Novel arylethene-sulfonamides EDNRA, ECE2, ECE1 DHPS 424/4885HEXA 1522/4885HEXB 1971/4885

“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.