SCHEMBL131359

SCHEMBL131359

FC(F)(F)c1cc(CNc2ncc(Br)cn2)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MPO P05164 1/20 0.46
VNN1 O95497 11/20 0.44
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42
CDK1 P06493 1/20 0.41
TDO2 P48775 1/20 0.40

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
SCHEMBL135218 0.81 NPC1 (0.50) HDAC3HDAC1HDAC2HDAC6NPC1
SCHEMBL30639034 0.81 HDAC1 (0.46) HDAC3HDAC1HDAC2HDAC6MPO
SCHEMBL28925377 0.78 CDK1 (0.42) HDAC3HDAC1HDAC2HDAC6MPO
SCHEMBL31141614 0.76 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC6MPO
SCHEMBL1587721 0.74 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6NPC1
SCHEMBL15276127 0.73 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6MPO
SCHEMBL13807046 0.73 AXL (0.49)
SCHEMBL31141680 0.72 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL15276001 0.71 PIN1 (0.46) HDAC3HDAC1HDAC2HDAC6MPO
SCHEMBL31141670 0.71 NOTUM (0.53) HDAC6MPO

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
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-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 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-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 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
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 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-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP 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
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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 (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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB HDAC3 1194/4885HDAC1 1310/4885HDAC2 1544/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB HDAC3 1194/4885HDAC1 1310/4885HDAC2 1544/4885
US-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB HDAC3 1341/4885HDAC1 1425/4885HDAC2 1921/4885

“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.