SCHEMBL9109660

SCHEMBL9109660

CC(C)Oc1ccc(CO)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PDK1 Q15118 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
PTGDR Q13258 2/20 0.39
PARP10 Q53GL7 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6565688 0.88 HTR2A (0.44) HTR2AKMT2ANPC1RAB9APDK1
SCHEMBL9106557 0.86 HTR2A (0.42) HTR2AKMT2ANPC1RAB9APDK1
SCHEMBL5219494 0.83 ALDH1A1 (0.52) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9110684 0.81 GRIA2 (0.46) CYP2C19
SCHEMBL9940716 0.80 ALDH1A1 (0.51) HTR2AKMT2ANPC1RAB9APDK1
SCHEMBL4237009 0.78 ALDH1A1 (0.51) KMT2ANPC1RAB9APDK1MEN1
SCHEMBL9107612 0.77 ALDH1A1 (0.63) HTR2AKMT2ANPC1RAB9APDK1
SCHEMBL14333582 0.77 CYP1A2 (0.49) HTR2AKMT2ANPC1RAB9APDK1
SCHEMBL29739485 0.76 ALDH1A1 (0.51) HTR2AKMT2ANPC1RAB9APDK1
SCHEMBL7031491 0.76 MAPT (0.55) KMT2ANPC1RAB9APDK1MEN1

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
EP-2646417-A1 KAT II INHIBITORS Pfizer Inc (US) 2013-10-09 EP disclosed
CN-103228631-A Kat II inhibitors PFIZER 2013-07-31 CN disclosed
US-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
US-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
US-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
WO-2012073146-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 WO disclosed
WO-2012073146-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 WO disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 US disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 US disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 US 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 (1 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-20120142729-A1 KAT ll INHIBITORS KAT7, KAT2A, KATNA1 HTR2A 733/4885KMT2A 68/4885NPC1 698/4885

“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.