SCHEMBL3585672

SCHEMBL3585672

O=C(O)c1ccc(CN2CCCCC2)o1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.74
KDM4E B2RXH2 2/20 0.70
GAA P10253 1/20 0.70
HRH3 Q9Y5N1 5/20 0.59
ALDH1A1 P00352 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL546627 0.98 HTT (0.77) HTTKDM4EGAAHRH3ALDH1A1
SCHEMBL25062715 0.85 KDM4E (0.68) HTTKDM4EGAAHRH3ALDH1A1
SCHEMBL1243301 0.85 HTT (1.00) HTTKDM4EGAAHRH3ALDH1A1
SCHEMBL3061301 0.85 KDM4E (0.68) HTTKDM4EGAAHRH3ALDH1A1
SCHEMBL3823611 0.84 HTT (0.70) HTTKDM4EGAAHRH3ALDH1A1
SCHEMBL21044234 0.84 HTT (0.70) HTTKDM4EGAAHRH3ALDH1A1
Hydrochloric Acid SCHEMBL3500894 0.84 HTT (0.97) HTTKDM4EGAAHRH3ALDH1A1
SCHEMBL15652383 0.83 KDM4E (0.70) HTTKDM4EGAAHRH3ALDH1A1
SCHEMBL3061697 0.83 KDM4E (0.66) HTTKDM4EGAAHRH3ALDH1A1
SCHEMBL1286668 0.83 KDM4E (0.66) HTTKDM4EGAAHRH3ALDH1A1

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2395000-A1 Benzimidazole compounds that modulate the activity of CDK, GSK and aurora kinases Astex Therapeutics Limited (GB) 2011-12-14 EP claimed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 US claimed
EP-1727551-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-09-09 EP claimed
CN-100496499-C Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LTD (GB) 2009-06-10 CN claimed
EP-2049119-A2 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3-[3-(5-MORPHOOLIN-4-YLMETHYL-1H-BENZOIMIDAZOL-2-YL)-1H-1-PYRAZOL-4-YL]-UREA Astex Therapeutics Limited (GB) 2009-04-22 EP claimed
EP-2043635-A2 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-04-08 EP claimed
CN-101379058-A Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases ASTEX THERAPEUTICS LTD (GB) 2009-03-04 CN claimed
EP-1968579-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2008-09-17 EP claimed
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection NOVARTIS PHARMACEUTICALS CORPORATION (US) 2008-06-12 US claimed
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-06-05 US claimed
US-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-08-09 US claimed
WO-2007077435-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-07-12 WO claimed
CN-1933841-A Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein ARROW THERAPEUTICS LTD (GB) 2007-03-21 CN claimed
CN-1929848-A Benzodiazepines for treating or preventing or preventing RSV infection ARROW THERAPEUTICS LTD (GB) 2007-03-14 CN claimed
EP-1740185-A1 BENZODIAZEPINES FOR TREATING OR PREVENTING RSV INFECTION Arrow Therapeutics Limited (GB) 2007-01-10 EP claimed
EP-1727551-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP claimed
WO-2006070195-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO claimed
WO-2005089770-A1 BENZODIAZEPINES FOR TREATING OR PREVENTING OR PREVENTING RSV INFECTION ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005089771-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET HTT 3102/4885KDM4E 2063/4885GAA 3397/4885
US-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 HTT 3035/4885KDM4E 4254/4885GAA 2238/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA HTT 3641/4885KDM4E 1339/4885GAA 3595/4885
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection CNR1, CBR1, CBR3 HTT 2576/4885KDM4E 3844/4885GAA 3959/4885

“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.