SCHEMBL130413

SCHEMBL130413

COC(=O)CCCCCNC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
MAPK1 P28482 1/20 0.67
HIF1A Q16665 1/20 0.67
ADRA1A P35348 1/20 0.64
TSHR P16473 3/20 0.56
PAOX Q6QHF9 3/20 0.55
EPHX2 P34913 4/20 0.54
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.45

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
SCHEMBL14507335 0.98 KDM4E (0.62) KDM4EMAPK1HIF1AADRA1ATSHR
SCHEMBL14073945 0.93 KDM4E (0.57) KDM4EMAPK1HIF1AADRA1ATSHR
SCHEMBL407248 0.91 TSHR (0.61) KDM4EMAPK1HIF1AADRA1ATSHR
SCHEMBL860790 0.84 KDM4E (0.56) KDM4EMAPK1HIF1AADRA1ATSHR
SCHEMBL19239219 0.83 TSHR (0.56) ADRA1ATSHREPHX2LMNAALDH1A1
SCHEMBL13376980 0.83 RECQL (0.61) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL9002644 0.83 EPHX1 (0.64) ADRA1ATSHREPHX2LMNAALDH1A1
SCHEMBL6014001 0.83 EPHX1 (0.64) ADRA1ATSHREPHX2LMNAALDH1A1
SCHEMBL3407201 0.82 TSHR (0.57) KDM4EMAPK1HIF1AADRA1ATSHR
SCHEMBL14739904 0.82 KDM4E (1.00) KDM4EMAPK1HIF1AADRA1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107210-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN INC (US) 2017-04-20 US disclosed
US-9371314-B2 Pyridyl benzothiophenes as kinase inhibitors ALLERGAN, INC. (US) 2016-06-21 US disclosed
US-20160102080-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS ALLERGAN, INC. 2016-04-14 US disclosed
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
EP-1979331-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
EP-1979341-A1 TRISUBSTITUTED AMINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO disclosed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
US-4992472-A Cancer chemotherapy; nontoxic THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1991-02-12 US disclosed
US-4882346-A TREATING MALIGNANT CELLS WITH 3,3'-(1,6-HEXANDIYL)BIS(5,5-DIMETHYL-2,4-IMIDAZOLINEDIONE) THE UNITED STATES OF AMERICA AS REPRSENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1989-11-21 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 (6 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB KDM4E 309/4885MAPK1 3651/4885HIF1A 3336/4885
US-20160102080-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS PDXK, MAP4K5, MAP4K2 KDM4E 455/4885MAPK1 118/4885HIF1A 2385/4885
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 KDM4E 1198/4885MAPK1 3566/4885HIF1A 4660/4885
US-20170107210-A1 PYRIDYL BENZOTHIOPHENES AS KINASE INHIBITORS PDXK, MAP4K5, MAP4K2 KDM4E 455/4885MAPK1 118/4885HIF1A 2385/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB KDM4E 309/4885MAPK1 3651/4885HIF1A 3336/4885
US-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB KDM4E 418/4885MAPK1 4218/4885HIF1A 3175/4885

“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.