SCHEMBL1765253

SCHEMBL1765253

Cc1cc([N+](=O)[O-])cnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TRPV1 Q8NER1 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SCN2A Q99250 1/20 0.42
HSP90AA1 P07900 1/20 0.41
CXCR5 P32302 1/20 0.41
APLNR P35414 1/20 0.41
CCR6 P51684 1/20 0.41
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
MAPK1 P28482 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
SCHEMBL1773066 0.87 ALDH1A1 (0.46) MAPTALDH1A1TRPV1NPSR1GAA
SCHEMBL10847396 0.83 MAPT (0.44) MAPTALDH1A1NPSR1ABCC8KCNJ11
SCHEMBL2404162 0.81 ALDH1A1 (0.53) MAPTALDH1A1GAAHTTTSHR
SCHEMBL2655580 0.78 ALDH1A1 (0.44) MAPTTLR2TLR1ALDH1A1TSHR
SCHEMBL1663659 0.76 ALDH1A1 (0.54) MAPTALDH1A1NPSR1HSP90AA1CXCR5
SCHEMBL30509934 0.75 ABCC8 (0.42) MAPTTLR2TLR1ALDH1A1NPSR1
SCHEMBL18448340 0.75 MAPT (0.53) MAPTTLR2TLR1ALDH1A1TRPV1
SCHEMBL1765224 0.75 KIF11 (0.47) ALDH1A1TRPV1KDM4EMAPK1
SCHEMBL1765772 0.75 KIF11 (0.47) ALDH1A1TRPV1KDM4E
SCHEMBL2402918 0.75 DHODH (0.48) MAPTALDH1A1NPSR1GAAHTT

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
CN-103261165-B Glucagon receptor modulators PFIZER INC. (US) 2015-08-26 CN disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
CN-1968921-B Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI 2011-11-23 CN disclosed
US-20110124648-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2011-05-26 US disclosed
US-20100324140-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2010-12-23 US disclosed
US-7816557-B2 3-{4-[1-(4'-tert-butyl-2,6-dimethyl-biphenyl-4-yloxy)-4,4,4-trifluoro-butyl]-benzoylamino}-propionic acid; treat diabetic and other glucagon related metabolic disorders ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
EP-2159221-A1 Glucagon receptor antagonists, preparation and therapeutic uses Eli Lilly & Company (US) 2010-03-03 EP disclosed
EP-1758853-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-01-20 EP disclosed
US-20070249688-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY (US) 2007-10-25 US disclosed
CN-1968921-A Glucagon receptor antagonists, preparation and therapeutic uses LILLY CO ELI (US) 2007-05-23 CN disclosed
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 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 (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-20110124648-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES GLP1R, GCGR, GIPR MAPT 4737/4885TLR2 1181/4885TLR1 1457/4885
US-20070249688-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR MAPT 4737/4885TLR2 1181/4885TLR1 1457/4885
US-20150094338-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 MAPT 4254/4885TLR2 740/4885TLR1 576/4885
US-20100324140-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES GLP1R, GCGR, GIPR MAPT 4737/4885TLR2 1181/4885TLR1 1457/4885
US-20150266861-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 MAPT 4254/4885TLR2 740/4885TLR1 576/4885

“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.