SCHEMBL135218

SCHEMBL135218

FC(F)(F)c1cc(CNc2ccc(Br)cn2)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
PKM P14618 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.45
HIF1A Q16665 1/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.44
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
VNN1 O95497 1/20 0.43
MPO P05164 1/20 0.43

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
SCHEMBL1266913 0.87 NPC1 (0.58) NPC1SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL28780861 0.85 NPC1 (0.57) NPC1SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL131359 0.81 HDAC3 (0.49) NPC1RAB9AABL1SRCVNN1
SCHEMBL2599920 0.78 NPC1 (0.52) NPC1SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL23683174 0.77 ATM (0.46) NPC1SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL23609081 0.75 ALDH1A1 (0.62) NPC1SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL21327660 0.74 NPC1 (0.54) NPC1SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL12640326 0.73 NPC1 (0.50) NPC1SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL18286222 0.73 SMN1; SMN2 (0.56) NPC1SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL18525587 0.73 KDM5A (0.49) NPC1SMN1; SMN2KDM4EALDH1A1MAPK1

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 16 patents. 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
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-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-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-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 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
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

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 NPC1 21/4885SMN1; SMN2 4864/4885KDM4E 309/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB NPC1 21/4885SMN1; SMN2 4864/4885KDM4E 309/4885
US-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB NPC1 24/4885SMN1; SMN2 4855/4885KDM4E 418/4885

“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.