SCHEMBL8289554

SCHEMBL8289554

O=C1C(Cc2c[nH]c3ccccc23)NC(=S)N1c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.75
MAPT P10636 5/20 0.70
CYP3A4 P08684 2/20 0.70
IDO1 P14902 2/20 0.70
TP53 P04637 1/20 0.70
GLA P06280 1/20 0.70
THRB P10828 1/20 0.70
RIPK1 Q13546 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HSD17B10 Q99714 1/20 0.70
KMT2A Q03164 6/20 0.68
MEN1 O00255 4/20 0.68
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.57
UBE2N P61088 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.53
TNF P01375 1/20 0.53

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
SCHEMBL29456688 1.00 GAA (0.75) GAAMAPTCYP3A4IDO1TP53
SCHEMBL11639246 0.89 NPSR1 (0.73) GAAMAPTCYP3A4IDO1TP53
Necrostatin SCHEMBL2030647 0.82 RIPK1 (1.00) GAAMAPTCYP3A4IDO1TP53
Necrostatin SCHEMBL14473477 0.82 RIPK1 (1.00) GAAMAPTCYP3A4IDO1TP53
Necrostatin SCHEMBL856922 0.82 RIPK1 (1.00) GAAMAPTCYP3A4IDO1TP53
Necrostatin SCHEMBL29351522 0.82 RIPK1 (1.00) GAAMAPTCYP3A4IDO1TP53
SCHEMBL29764700 0.81 KMT2A (0.75) GAAMAPTCYP3A4IDO1TP53
SCHEMBL13879430 0.80 NPSR1 (0.71) GAAMAPTCYP3A4IDO1TP53
SCHEMBL13879470 0.78 NPSR1 (0.62) GAAMAPTCYP3A4IDO1TP53
SCHEMBL14471229 0.78 KMT2A (0.71) GAAMAPTCYP3A4IDO1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263636-B2 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases IMTM GMBH (DE) 2012-09-11 US disclosed
US-8263636-B2 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases IMTM GMBH (DE) 2012-09-11 US disclosed
US-20120142750-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS REGENTS OF THE UNIVERSITY OF MINNESOTA 2012-06-07 US disclosed
US-20120142750-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS REGENTS OF THE UNIVERSITY OF MINNESOTA 2012-06-07 US disclosed
EP-2105441-A1 Alanyl aminopeptidase and dipeptidylpeptidase IV dual inhibitors for the treatment of immunological, inflammatory, neuronal and other illnesses IMTM GmbH (DE) 2009-09-30 EP disclosed
US-20090155311-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS MED. COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2009-06-18 US disclosed
US-20090155311-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS MED. COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2009-06-18 US disclosed
US-20070078130-A1 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-04-05 US disclosed
US-20070078130-A1 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-04-05 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO disclosed
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO disclosed
WO-2005034940-A2 DUAL ALANYL AMINOPEPTIDASE AND DIPEPTIDYL PEPTIDASE IV INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND FOR TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL AND OTHER DISEASES IMTM GMBH (DE) 2005-04-21 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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 GAA 108/4885MAPT 1306/4885CYP3A4 611/4885
US-20070078130-A1 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases DNPEP, PREP, ANPEP GAA 120/4885MAPT 1296/4885CYP3A4 655/4885
US-20090155311-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS IDO2, IDO1, INMT GAA 4412/4885MAPT 4364/4885CYP3A4 489/4885
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP GAA 227/4885MAPT 1400/4885CYP3A4 1506/4885
US-20120142750-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS IDO2, IDO1, INMT GAA 4412/4885MAPT 4364/4885CYP3A4 489/4885

“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.