SCHEMBL1865050

SCHEMBL1865050

Nc1cc(C(F)(F)F)ccc1Nc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 3/20 0.61
GFER P55789 2/20 0.61
GAA P10253 2/20 0.61
KDM4E B2RXH2 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPK10 P53779 2/20 0.50
EGFR P00533 1/20 0.49
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSC P53634 1/20 0.44
SLC40A1 Q9NP59 2/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
PKM P14618 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
SCHEMBL6836639 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1GFERGAA
SCHEMBL25768719 0.77 MEN1 (0.55) MAPTMEN1KMT2AALDH1A1GFER
SCHEMBL23619042 0.77 MAPK10 (0.55) MAPTMEN1KMT2AALDH1A1GFER
SCHEMBL6836695 0.77 MAPK10 (0.55) MAPTMEN1KMT2AALDH1A1GFER
SCHEMBL6836512 0.77 MEN1 (0.68) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL16876450 0.76 TAS2R14 (0.51) MAPTMEN1KMT2AGFERMAPK10
SCHEMBL9558899 0.76 KDM4E (0.54) MAPTMEN1KMT2AALDH1A1GFER
SCHEMBL27618377 0.76 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1GFER
SCHEMBL3237764 0.76 HDAC1 (0.69) ALDH1A1GAA
SCHEMBL4943709 0.76 MEN1 (0.73) MAPTMEN1KMT2AALDH1A1GFER

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533983-B2 Antiplatelet agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-03 US disclosed
EP-2518066-B1 NOVEL ANTI-PLATELET AGENT MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-18 EP disclosed
US-20140194407-A1 NOVEL ANTIPLATELET AGENT MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-10 US disclosed
US-20140194407-A1 NOVEL ANTIPLATELET AGENT MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-10 US disclosed
US-8703760-B2 Antiplatelet agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-04-22 US disclosed
US-8703760-B2 Antiplatelet agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-04-22 US disclosed
EP-2518066-A1 NOVEL ANTI-PLATELET AGENT Mitsubishi Tanabe Pharma Corporation (JP) 2012-10-31 EP disclosed
US-20120258951-A1 NOVEL ANTIPLATELET AGENT Mitsubishi Tanage Pharma Corporation (JP) 2012-10-11 US disclosed
US-20120258951-A1 NOVEL ANTIPLATELET AGENT Mitsubishi Tanage Pharma Corporation (JP) 2012-10-11 US disclosed
US-7939663-B2 Phosphor metallic compound and an organic electroluminescence device having improved luminous efficiency and color purity; long lifespan; highly efficient phosphor host material SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 US disclosed
US-20080275239-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-11-06 US disclosed
WO-2007078181-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-07-12 WO disclosed
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US disclosed
US-6713482-B2 SUCH AS (E)-1-(2-PYRIDYL)-2-STYRYL-1H-BENZIMIDAZOLE; ANTIINFLAMMATORY AND ANALGESIC AGENTS; PROSTAGLANDIN INHIBITORS PFIZER INC. 2004-03-30 US disclosed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 US disclosed
EP-0937722-A1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER INC. (US) 1999-08-25 EP 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 (5 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-20140194407-A1 NOVEL ANTIPLATELET AGENT F12, TBXA2R, F11 MAPT 4876/4885MEN1 2309/4885KMT2A 3462/4885
US-20080275239-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SCO2, NFE2L2, SOD1 MAPT 2894/4885MEN1 108/4885KMT2A 1787/4885
US-20120258951-A1 NOVEL ANTIPLATELET AGENT F12, TBXA2R, F11 MAPT 4876/4885MEN1 2309/4885KMT2A 3462/4885
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 MAPT 4772/4885MEN1 4840/4885KMT2A 1611/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 MAPT 4736/4885MEN1 4821/4885KMT2A 1403/4885

“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.