SCHEMBL9912563

SCHEMBL9912563

CCOC(=O)c1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
F2RL3 Q96RI0 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 4/20 0.43
AR P10275 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ELANE P08246 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 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
SCHEMBL14124978 0.85 MAPK1 (0.57) MAPK1SMN1; SMN2POLBF2RL3TDP1
SCHEMBL4785326 0.78 CYP19A1 (0.57) MAPK1SMN1; SMN2POLBF2RL3TDP1
SCHEMBL27933695 0.78 ALDH1A1 (0.39) SMN1; SMN2POLBALDH1A1KMT2AMAPT
SCHEMBL27915179 0.77 ALDH1A1 (0.38) MAPK1SMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL9912562 0.76 AADAT (0.42) SMN1; SMN2POLBARALDH1A1KMT2A
SCHEMBL16832851 0.75 ALDH1A1 (0.53) MAPK1SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL6339999 0.74 ALDH1A1 (0.49) MAPK1SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL3851359 0.74 MAPK1 (0.54) MAPK1SMN1; SMN2POLBF2RL3TDP1
SCHEMBL28894841 0.74 RAB9A (0.56) MAPK1SMN1; SMN2TDP1ALDH1A1KMT2A
SCHEMBL6995149 0.74 SMN1; SMN2 (0.52) SMN1; SMN2ARALDH1A1KMT2AMAPT

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 10 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
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 MAPK1 2473/4885SMN1; SMN2 3349/4885POLB 834/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 MAPK1 2473/4885SMN1; SMN2 3349/4885POLB 834/4885

“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.