SCHEMBL1551100

SCHEMBL1551100

NNC(=S)NCc1cccc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.64
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.54
ALOX12 P18054 3/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
IDO1 P14902 1/20 0.54
PLA2G1B P04054 2/20 0.51
ATG4B Q9Y4P1 2/20 0.51
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 1/20 0.50
PTPN7 P35236 2/20 0.48
DUSP3 P51452 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
HPGD P15428 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL20496871 0.83 LMNA (0.54) GAAALDH1A1LMNAALOX12MAPT
SCHEMBL5528698 0.83 PTPN7 (0.50) GAAALDH1A1LMNAALOX12MAPT
SCHEMBL8178554 0.80 ANPEP (0.54) LMNAATG4BSRC
SCHEMBL4872149 0.79 PTPN7 (0.53) GAAALDH1A1LMNAALOX12MAPT
SCHEMBL7655034 0.79 HDAC1 (0.65) GAAALDH1A1LMNAMAPTKMT2A
SCHEMBL15682780 0.79 SRC (0.52) ALDH1A1KMT2ASRC
SCHEMBL457957 0.78 GAA (1.00) GAAALDH1A1LMNAALOX12MAPT
SCHEMBL10721079 0.77 LMNA (0.47) GAAALDH1A1LMNAALOX12MAPT
SCHEMBL1558245 0.76 SMN1; SMN2 (0.65) GAAALDH1A1LMNAMAPTPKM
SCHEMBL31612206 0.76 CYP3A4 (0.59) LMNAMAPTPKMIDO1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313380-B1 OXADIAZOLE DERIVATIVES FOR TREATING DIABETES MERCK PATENT GMBH (DE) 2013-12-11 EP disclosed
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 US disclosed
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 US disclosed
US-8377975-B2 Oxadiazole derivatives for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-19 US disclosed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 US disclosed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 US disclosed
US-20110139654-A1 OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2011-06-16 US disclosed
EP-2313380-A1 OXADIAZOLE DERIVATIVES FOR TREATING DIABETES Merck Patent GmbH (DE) 2011-04-27 EP disclosed
WO-2010020308-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-25 WO disclosed
WO-2010020305-A1 OXADIAZOLE DERIVATIVES FOR TREATING DIABETES MERCK PATENT GMBH (DE) 2010-02-25 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-20110166175-A1 7-AZAINDOLE DERIVATIVES JAK3, AZI2, MYLK2 GAA 2042/4885ALDH1A1 3178/4885LMNA 1025/4885
US-20110139654-A1 OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES PFKL, RXFP3, OXA1L GAA 1566/4885ALDH1A1 2507/4885LMNA 3264/4885

“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.