SCHEMBL9912540

SCHEMBL9912540

CC(C)(C)OC(=O)N[C@H]1Cc2c(cnn2Cc2ccccc2)N(O)C1=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.60
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SCN9A Q15858 8/20 0.41
CCKAR P32238 3/20 0.40
CCKBR P32239 3/20 0.40
NPY1R P25929 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SCD O00767 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL15487826 0.87 AADAT (0.68) AADATALDH1A1RIPK1
SCHEMBL14136608 0.83 AADAT (0.69) AADATALDH1A1RIPK1
SCHEMBL15493879 0.82 AADAT (0.71) AADATKMT2AL3MBTL1ALDH1A1RIPK1
SCHEMBL14124977 0.82 AADAT (0.47) AADATKMT2AL3MBTL1SCN9AALDH1A1
SCHEMBL14136962 0.79 AADAT (0.64) AADATKMT2AL3MBTL1SCN9ANPY1R
SCHEMBL14053143 0.76 AADAT (0.62) AADATALDH1A1RIPK1
SCHEMBL9912538 0.75 AADAT (1.00) AADAT
SCHEMBL9912518 0.74 AADAT (0.60) AADATKMT2AL3MBTL1SCN9ANPY1R
SCHEMBL29048164 0.74 SMN1; SMN2 (0.57) KMT2AL3MBTL1SCN9ANPY1RALDH1A1
SCHEMBL6763198 0.74 AADAT (0.49) AADATSCN9ANPY1R

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 8 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
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-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 2414/4885KMT2A 215/4885L3MBTL1 8/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 AADAT 2414/4885KMT2A 215/4885L3MBTL1 8/4885

“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.