SCHEMBL5722672

SCHEMBL5722672

COc1ccc(OCCCl)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 9/20 0.46
▸ MAPT P10636 8/20 0.46
▸ TDP1 Q9NUW8 5/20 0.46
▸ HPGD P15428 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL31456048 0.84 MTNR1A (0.48) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL2497117 0.84 L3MBTL1 (0.51) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL3720086 0.84 L3MBTL1 (0.47) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL31583912 0.81 PTPN1 (0.49) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL17260308 0.79 MAPT (0.50) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL15730490 0.79 HTR7 (0.60) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL31648415 0.79 L3MBTL1 (0.46) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL14968907 0.79 L3MBTL1 (0.50) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL8702633 0.78 MAPT (0.54) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL9544160 0.78 L3MBTL1 (0.44) L3MBTL1MAPTSMN1; SMN2LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841925-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2006-10-04 — — EP disclosed
US-6482956-B2 FOR THERAPY OF CARDIOVASCULAR, CEREBROVASCULAR, RESPIRATORY AND RENAL DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-11-19 — — US disclosed
US-20020072614-A1 Endothelin receptor antagonists LUENGO JUAN IGNACIO (US) 2002-06-13 — — US disclosed
US-6353116-B1 Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-03-05 — — US disclosed
EP-0841925-A4 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-17 — — EP disclosed
US-6096897-A NOVEL 1,2,3-TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2000-08-01 — — US disclosed
US-5969151-A PYRAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-19 — — US disclosed
US-5958968-A CARDIOVASCULAR DISORDERS; KIDNEY DIEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-09-28 — — US disclosed
CN-1196680-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1998-10-21 — — CN disclosed
EP-0841925-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-20 — — EP disclosed
WO-1997004772-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 — — 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-20020072614-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 L3MBTL1 4835/4885MAPT 3139/4885TDP1 842/4885

“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.

Send feedback