SCHEMBL12600746

SCHEMBL12600746

COc1ccc(Nc2ncc(C(F)(F)F)cc2[N+](=O)[O-])cn1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ PABPC1 P11940 4/20 0.50
▸ MAPT P10636 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ POLB P06746 3/20 0.48
▸ PIK3CA P42336 6/20 0.47
▸ MTOR P42345 6/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ FGFR4 P22455 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PIK3R1 P27986 1/20 0.44

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
SCHEMBL12600392 0.84 MAPK1 (0.63) MAPK1L3MBTL1MEN1KMT2APABPC1
SCHEMBL12600402 0.83 MAPK1 (0.49) MAPK1L3MBTL1MEN1KMT2APABPC1
SCHEMBL12600098 0.83 MAPK1 (0.49) MAPK1L3MBTL1MEN1KMT2APABPC1
SCHEMBL12600722 0.80 PIK3CA (0.53) MAPTNPC1PIK3CAMTORPIK3R1
SCHEMBL12601028 0.79 MAPK1 (0.51) MAPK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6347219 0.77 MEN1 (0.62) MAPK1L3MBTL1MEN1KMT2APABPC1
SCHEMBL13563199 0.77 NPC1 (0.48) MEN1KMT2APABPC1MAPTNPC1
SCHEMBL117981 0.75 FGFR4 (0.51) MAPK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL31315323 0.75 FGFR4 (0.51) MAPK1L3MBTL1MEN1KMT2AMAPT
SCHEMBL29532865 0.73 FGFR4 (0.48) MAPK1L3MBTL1MEN1KMT2AMAPT

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 9 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
WO-2011074658-A1 NOVEL ANTI-PLATELET AGENT 田辺三菱製薬株式会社 (JP) 2011-06-23 — — 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 (2 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 MAPK1 447/4885L3MBTL1 3698/4885MEN1 2309/4885
US-20120258951-A1 NOVEL ANTIPLATELET AGENT F12, TBXA2R, F11 MAPK1 447/4885L3MBTL1 3698/4885MEN1 2309/4885

“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.

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