SCHEMBL11901195

SCHEMBL11901195

O=[N+]([O-])c1ccc(-n2cnc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
ALDH1A1 P00352 1/20 0.45
PTGS2 P35354 2/20 0.44
TLR2 O60603 3/20 0.40
TLR1 Q15399 3/20 0.40
POLB P06746 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PARL Q9H300 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
MLYCD O95822 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 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
SCHEMBL7325260 0.78 HPGD (0.46) PTGS1ALDH1A1PTGS2TLR2TLR1
SCHEMBL1260380 0.78 TLR2 (0.65) PTGS1ALDH1A1PTGS2TLR2TLR1
SCHEMBL11901049 0.78 TLR2 (0.48) ALDH1A1PTGS2TLR2TLR1MEN1
SCHEMBL5606561 0.77 PTGS2 (0.52) PTGS1PTGS2
SCHEMBL23884749 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL22465893 0.76 HTR2A (0.42) ALDH1A1TLR2TLR1POLBHTR2A
SCHEMBL1037500 0.76 HTT (0.51) ALDH1A1TLR2TLR1POLBHTR2A
SCHEMBL11899949 0.76 NR2E1 (0.42) PTGS1PTGS2MAPT
SCHEMBL8819363 0.76 PTGS2 (0.40) PTGS1PTGS2
SCHEMBL31314846 0.76 NPC1 (0.50) PTGS1PTGS2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
EP-2673260-B1 GLUCAGON RECEPTOR MODULATOR PFIZER (US) 2016-08-17 EP disclosed
EP-2673260-B1 GLUCAGON RECEPTOR MODULATOR PFIZER (US) 2016-08-17 EP disclosed
CN-103370306-B Glucagon Receptor Modulators PFIZER INC. (US) 2015-12-02 CN disclosed
US-20150266859-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266859-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-09-24 US disclosed
US-9073871-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-07-07 US disclosed
CN-104744370-A Glucagon receptor modulators PFIZER 2015-07-01 CN disclosed
US-20140371467-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2014-12-18 US disclosed
US-8859591-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-10-14 US disclosed
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS PFIZER (US) 2013-11-07 US disclosed
CN-103370306-A Glucagon receptor modulators PFIZER 2013-10-23 CN disclosed
US-8507533-B2 Glucagon receptor modulators PFIZER INC. (US) 2013-08-13 US disclosed
US-8507533-B2 Glucagon receptor modulators PFIZER INC. (US) 2013-08-13 US disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 US disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 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 (5 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-20150266859-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 PTGS1 706/4885ALDH1A1 2684/4885PTGS2 1361/4885
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 PTGS1 706/4885ALDH1A1 2684/4885PTGS2 1361/4885
US-20140371467-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 PTGS1 706/4885ALDH1A1 2684/4885PTGS2 1361/4885
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 PTGS1 706/4885ALDH1A1 2684/4885PTGS2 1361/4885
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 PTGS1 706/4885ALDH1A1 2684/4885PTGS2 1361/4885

“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.