SCHEMBL4151437

SCHEMBL4151437

Cc1cccc(C)c1N1C(=O)c2ccc(N)cc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 1.00
DPP4 P27487 5/20 1.00
ALDH1A1 P00352 6/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
TSHR P16473 3/20 0.61
CASP1 P29466 2/20 0.61
CASP7 P55210 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPK1 P28482 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
POLB P06746 2/20 0.45
CYP3A4 P08684 2/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL19397816 0.83 DPP4 (0.71) ANPEPDPP4ALDH1A1NPC1RAB9A
SCHEMBL12665488 0.83 DPP4 (0.71) ANPEPDPP4ALDH1A1NPC1RAB9A
SCHEMBL10658930 0.82 ANPEP (0.69) ANPEPDPP4ALDH1A1NPC1RAB9A
SCHEMBL17326771 0.80 DPP4 (0.67) ANPEPDPP4ALDH1A1MEN1KMT2A
SCHEMBL10491139 0.80 DPP4 (0.68) ANPEPDPP4ALDH1A1TSHRMEN1
SCHEMBL2818285 0.80 ANPEP (1.00) ANPEPDPP4ALDH1A1NPC1RAB9A
SCHEMBL12021927 0.78 DPP4 (0.64) ANPEPDPP4ALDH1A1NPC1RAB9A
SCHEMBL6923519 0.77 DPP4 (0.63) ANPEPDPP4ALDH1A1MEN1KMT2A
SCHEMBL9468849 0.77 NPC1 (0.67) ANPEPDPP4ALDH1A1NPC1RAB9A
SCHEMBL1250706 0.76 ANPEP (0.66) ANPEPDPP4ALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2769715-A2 Methods for treating autoimmune disorders, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2014-08-27 EP disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-8410053-B2 Methods for treating autoimmune disorders, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2013-04-02 US disclosed
EP-2527330-A1 Inhibitors of the hedgehog pathway Exelixis, Inc. (US) 2012-11-28 EP disclosed
EP-2527330-A1 Inhibitors of the hedgehog pathway Exelixis, Inc. (US) 2012-11-28 EP disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
EP-2134695-A1 INHIBITORS OF THE HEDGEHOG PATHWAY Exelixis, Inc. (US) 2009-12-23 EP disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
WO-2008112913-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2008-09-18 WO disclosed
WO-2008112913-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2008-09-18 WO disclosed
US-20050070459-A1 treating Type I diabetes, septic shock, multiple sclerosis, inflammatory bowel disease (IBD) and Crohn's disease with BoroProline-Pinacol or other proline derivatives; dipeptidylpeptidase inhibitor BRIGHAM AND WOMEN"S HOSPITAL (US) 2005-03-31 US disclosed
EP-1487471-A2 METHODS FOR TREATING AUTOIMMUNE DISORDERS AND REAGENTS RELATED THERETO Trustees of Tufts College (US) 2004-12-22 EP disclosed
WO-2003045228-A9 METHODS FOR TREATING AUTOIMMUNE DISORDERS, AND REAGENTS RELATED THERETO TUFTS COLLEGE (US) 2004-09-16 WO disclosed
WO-2003045228-A2 METHODS FOR TREATING AUTOIMMUNE DISORDERS, AND REAGENTS RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2003-06-05 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-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO ANPEP 4223/4885DPP4 2994/4885ALDH1A1 1523/4885
US-20050070459-A1 treating Type I diabetes, septic shock, multiple sclerosis, inflammatory bowel disease (IBD) and Crohn's disease with BoroProline-Pinacol or other proline derivatives; dipeptidylpeptidase inhibitor DNPEP, PREP, VIP ANPEP 21/4885DPP4 11/4885ALDH1A1 3157/4885

“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.