SCHEMBL3028469

SCHEMBL3028469

[c]1oc2ccccc2c1-c1ncco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
HPGDS O60760 1/20 0.39
LTA4H P09960 1/20 0.38
ADRA1A P35348 3/20 0.35
ADRA2A P08913 2/20 0.35
ADRA1D P25100 2/20 0.35
SMO Q99835 1/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34
TUBB6 Q9BUF5 2/20 0.34

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
SCHEMBL5567669 0.75 KDM4E (0.36) BRD4KDM4EALDH1A1GAAMAPT
SCHEMBL646759 0.72 KDM4E (0.45) BRD4KDM4EALDH1A1MAPTHPGD
SCHEMBL7808907 0.72 KDM4E (0.42) HPGDSKDM4EALDH1A1GAAMAPT
SCHEMBL4257094 0.70 ALOX5 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL21296037 0.70 NOTUM (0.40) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL11363800 0.70 BRD4 (0.57) BRD4HPGDSLTA4HADRA1AADRA2A
SCHEMBL5324075 0.70 NPC1 (0.50) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL244548 0.70 NOS3 (0.41)
SCHEMBL6430073 0.69 SMN1; SMN2 (0.31)
SCHEMBL3685297 0.69 ADRA2A (0.45) ADRA1AADRA2ATUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211603-B1 Enediyne compounds and methods related thereto INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2007-05-01 US claimed
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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 (2 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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA BRD4 1172/4885HPGDS 219/4885LTA4H 1456/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 BRD4 1536/4885HPGDS 305/4885LTA4H 2159/4885

“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.