SCHEMBL1990539

SCHEMBL1990539

O=Cc1ccc(OCCNc2nc3ccccc3o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.50
▸ ATP4A P20648 15/20 0.46
▸ ATP4B P51164 15/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA9 Q16790 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
SCHEMBL4744464 0.82 ATP4A (0.45) CETPATP4AATP4BNPC1TP53
SCHEMBL8717019 0.81 NPC1 (0.52) CETPNPC1TP53RAB9ASMN1; SMN2
SCHEMBL1849761 0.81 PPARG (0.66) —
SCHEMBL12521715 0.81 PPARG (0.66) —
SCHEMBL1849759 0.81 PPARG (0.66) —
SCHEMBL1989519 0.80 NPC1 (0.40) CETPNPC1TP53RAB9ASMN1; SMN2
SCHEMBL1849764 0.80 PPARG (0.52) CETP
SCHEMBL31201856 0.80 CETP (0.49) CETPNPC1TP53RAB9ASMN1; SMN2
SCHEMBL9803918 0.79 ATP4A (0.51) ATP4AATP4BSMN1; SMN2
SCHEMBL4744468 0.74 PPARG (0.63) ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263587-B2 Benzoxazepine compounds, their preparation and use PIRAMAL HEALTHCARE LIMITED (IN) 2012-09-11 — — US disclosed
EP-2077846-B1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LTD (IN) 2011-10-12 — — EP disclosed
US-20110152247-A1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2011-06-23 — — US disclosed
EP-2077846-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Life Sciences Limited (IN) 2009-07-15 — — EP disclosed
WO-2008053446-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-05-08 — — WO disclosed
US-6686475-B2 THIAZOLIDINEDIONE DERIVATIVES HAVING HYPOGLYCAEMIC AND HYPOLIPIDAEMIC ACTIVITIES BEECHAM GROUP P.L.C. (GB) 2004-02-03 — — US disclosed
US-20030149054-A1 Administering thiazolidinedione derivatives for therapy and prophylaxis of cardiovascular diseases or eating disorders in a human or non- human mammal BEECHAM GROUP P.L.C. 2003-08-07 — — US disclosed
US-20020049240-A1 NOVEL COMPOUNDS BEECHAM GROUP P.1.C. 2002-04-25 — — US disclosed
US-6288095-B1 ADMINISTERING 5-(4-(2-(N-METHYL-N-(2-PYRIDYL)AMINO)ETHOXY) BENZYL)-2,4-THIAZOLIDINEDIONE TO MAMMALS AS AN ANTIDIABETIC BEECHAM GROUP P.L.C. (GB) 2001-09-11 — — US disclosed
US-5646169-A ADMINISTERING SUBSTITUTED THIAZOLIDINEDIONE DERIVATIVES TO HUMANS OR OTHER MAMMALS BEECHAM GROUP P.L.C. (GB) 1997-07-08 — — US disclosed
US-5521201-A SUBSTITUTED-THIAZOLIDINEDIONE DERIVATIVES BEECHAM GROUP P.L.C. 1996-05-28 — — US disclosed
US-5260445-A Hypoglycemic BEECHAM GROUP P.L.C. (GB) 1993-11-09 — — US disclosed
US-5232925-A Treating hypertension BEECHAM GROUP P.L.C. (GB) 1993-08-03 — — US disclosed
US-5194443-A Thiazolinediones, Hypoglycemic Agents, Antilipemic Agents BEECHAM GROUP P.L.C. (GB) 1993-03-16 — — US disclosed
US-5002953-A Substituted Thiazolidinedione Derivatives BEECHAM GROUP P.L.C. (GB) 1991-03-26 — — 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 (3 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-20110152247-A1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE GPR119, INSR, SLC5A1 CETP 2723/4885ATP4A 734/4885ATP4B 587/4885
US-20030149054-A1 Administering thiazolidinedione derivatives for therapy and prophylaxis of cardiovascular diseases or eating disorders in a human or non- human mammal TYK2, FABP3, FABP4 CETP 298/4885ATP4A 1793/4885ATP4B 3152/4885
US-20020049240-A1 NOVEL COMPOUNDS GRK1, GRK3, GRK7 CETP 347/4885ATP4A 2743/4885ATP4B 3513/4885

“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.

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