SCHEMBL9912468

SCHEMBL9912468

O=[N+]([O-])c1nn(C2CCCCO2)cc1CO

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CD274 Q9NZQ7 1/20 0.32
ALDH1A1 P00352 3/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
ATR Q13535 1/20 0.31
ABL1 P00519 1/20 0.31
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9912461 0.88 CYP1A2 (0.35) CYP1A2HPGDCD274ALDH1A1GAA
SCHEMBL319862 0.81 ALDH1A1 (0.37) CYP1A2HPGDCD274ALDH1A1RAB9A
SCHEMBL5578038 0.80 HCAR3 (0.33) CYP1A2HPGDCD274ALDH1A1RAB9A
SCHEMBL15465348 0.80 SLC18A3 (0.32) ABL1MEN1KMT2A
SCHEMBL15465350 0.80 SLC18A3 (0.32) ABL1MEN1KMT2A
SCHEMBL15465140 0.79 SLC18A3 (0.31) ABL1MEN1KMT2A
SCHEMBL15465141 0.79 SLC18A3 (0.31) ABL1MEN1KMT2A
SCHEMBL17610374 0.78 ATR (0.35) CD274ALDH1A1RAB9AATRABL1
SCHEMBL16057242 0.78 CD274 (0.33) CD274ATRABL1
SCHEMBL18946120 0.78 GAA (0.36) CD274ALDH1A1RAB9AGAAATR

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 12 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
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-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 CYP1A2 3189/4885HPGD 3911/4885CD274 4726/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 CYP1A2 3189/4885HPGD 3911/4885CD274 4726/4885

“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.