SCHEMBL9912568

SCHEMBL9912568

O=C(O)c1n[nH]c(C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 5/20 0.54
KCNJ11 Q14654 5/20 0.54
HCAR2 Q8TDS4 6/20 0.36
GYS1 P13807 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
ALOX15 P16050 2/20 0.32

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
SCHEMBL6366923 0.83 ALDH1A1 (0.40) ABCC8KCNJ11HCAR2ALDH1A1MAPT
SCHEMBL9912567 0.78 ABCC8 (0.43) ABCC8KCNJ11ALDH1A1MAPT
SCHEMBL29517032 0.75 ABCC8 (0.55) ABCC8KCNJ11GYS1ALDH1A1MAPT
SCHEMBL331274 0.75 ALDH1A1 (0.36) HCAR2ALDH1A1MAPTCASP7CASP6
SCHEMBL4185273 0.74 ALOX15 (0.44) ABCC8KCNJ11HCAR2ALOX15
SCHEMBL1559276 0.74 MAPT (0.53) HCAR2ALDH1A1MAPTCASP7CASP6
SCHEMBL3464362 0.74 ABCC8 (0.54) ABCC8KCNJ11GYS1ALDH1A1MAPT
SCHEMBL570053 0.72 HCAR2 (0.50) HCAR2
SCHEMBL1558736 0.70 HCAR2 (0.57) HCAR2ALDH1A1MAPTCASP7CASP6
SCHEMBL6366922 0.70 MAPT (0.36) HCAR2ALDH1A1MAPTCASP7CASP6

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
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-8598200-B2 KAT II inhibitors PFIZER INC. (US) 2013-12-03 US disclosed
CN-103228660-A Kat II inhibitors PFIZER 2013-07-31 CN disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
WO-2012073143-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 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-20140057938-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 ABCC8 3928/4885KCNJ11 1485/4885HCAR2 4053/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 ABCC8 3928/4885KCNJ11 1485/4885HCAR2 4053/4885

“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.