SCHEMBL4064654

SCHEMBL4064654

COc1cccc(Oc2c(Cl)nc(N3CCOCC3)nc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PIK3CA P42336 8/20 0.52
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
PIK3CD O00329 5/20 0.48
PIK3CB P42338 3/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL4065449 0.92 PIK3CA (0.48) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4065446 0.87 PIK3CA (0.51) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4059458 0.85 L3MBTL1 (0.52) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5631503 0.80 MAPT (0.49) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5753620 0.79 PIK3CA (0.61) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL11862336 0.79 MEN1 (0.74) L3MBTL1MAPTCYP1A2CYP2C9TSHR
SCHEMBL11864650 0.78 MAPT (0.52) L3MBTL1MAPTMAPK1HSD17B10PIK3CA
SCHEMBL7011083 0.77 MAPT (0.50) L3MBTL1MAPTCYP1A2MAPK1CYP2C19
SCHEMBL2375785 0.76 PIK3CA (0.58) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL1309698 0.75 CYP1A2 (0.67) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9

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-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 EP disclosed
US-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 US disclosed
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 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-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 L3MBTL1 4881/4885MAPT 4247/4885CYP1A2 537/4885

“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.