SCHEMBL9912562

SCHEMBL9912562

O=[N+]([O-])c1c(C(F)(F)F)nn(Cc2ccccc2)c1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
HSPD1 P10809 1/20 0.36
HSPE1 P61604 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9912569 0.88 AADAT (0.39) AADATALDH1A1MEN1KMT2ACYP3A4
SCHEMBL27915175 0.85 AADAT (0.38) AADATALDH1A1MEN1KMT2ACYP3A4
SCHEMBL14124979 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL27933695 0.79 ALDH1A1 (0.39) AADATALDH1A1MEN1KMT2ACYP3A4
SCHEMBL27915179 0.78 ALDH1A1 (0.38) AADATALDH1A1MEN1KMT2ACYP3A4
SCHEMBL9912563 0.76 MAPK1 (0.47) ALDH1A1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL14052736 0.75 ACE (0.48) CYP3A4
SCHEMBL14053572 0.75 ALDH1A1 (0.40) AADATALDH1A1MEN1KMT2ACYP3A4
SCHEMBL14053228 0.73 AAK1 (0.48) AADATALDH1A1CYP3A4SMN1; SMN2GAA
SCHEMBL16833034 0.73 DCTPP1 (0.41) MAPT

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 AADAT 2414/4885ALDH1A1 3280/4885MEN1 4642/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 AADAT 2414/4885ALDH1A1 3280/4885MEN1 4642/4885

“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.