SCHEMBL2961939

SCHEMBL2961939

OC(c1cc(Br)ccc1F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
ABHD6 Q9BV23 4/20 0.35
PDE2A O00408 3/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDK2 Q15119 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
ALOX15 P16050 1/20 0.30
KDM1A O60341 2/20 0.30

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
SCHEMBL24633625 1.00 DGAT1 (0.35) DGAT1ABHD6PDE2ACES2CES1
SCHEMBL29395891 0.85 PDE2A (0.40) DGAT1ABHD6PDE2ACES2CES1
SCHEMBL610591 0.85 PDE2A (0.40) DGAT1ABHD6PDE2ACES2CES1
SCHEMBL19839324 0.85 PDE2A (0.40) DGAT1ABHD6PDE2ACES2CES1
SCHEMBL16567260 0.82 ABHD6 (0.36) ABHD6ALDH1A1PDK2ALOX15
SCHEMBL362967 0.82 DGAT1 (0.32) DGAT1PDE2APDK2ADRA2AADRA2B
SCHEMBL13859224 0.81 PDE2A (0.36) DGAT1PDE2AADRA2AADRA2BADRA2C
SCHEMBL20252636 0.78 PDK2 (0.36) PDE2ACES2CES1ALDH1A1GAA
SCHEMBL20238041 0.78 PDK2 (0.36) PDE2ACES2CES1ALDH1A1GAA
SCHEMBL23094690 0.77 ALOX15 (0.39) ABHD6CES2LMNAPDK2ALOX15

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
WO-2016196337-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-12-08 WO disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
CN-101679348-A 5-pyridone substituted indazoles AMR TECHNOLOGY INC 2010-03-24 CN disclosed
EP-2121654-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES Albany Molecular Research, Inc. (US) 2009-11-25 EP disclosed
WO-2008086404-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2008-07-17 WO disclosed
WO-2008086404-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2008-07-17 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-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PDXK, PNPO DGAT1 4314/4885ABHD6 4393/4885PDE2A 245/4885

“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.