SCHEMBL360571

SCHEMBL360571

CCOC(=O)C(=O)NCc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPT P10636 2/20 0.61
HTT P42858 2/20 0.56
RAB9A P51151 1/20 0.56
NAMPT P43490 3/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 4/20 0.54
PPID Q08752 1/20 0.53
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MMP2 P08253 1/20 0.49
CYP3A4 P08684 1/20 0.49
STAT3 P40763 1/20 0.49
MMP13 P45452 1/20 0.49
MAPK14 Q16539 1/20 0.49

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
SCHEMBL805287 0.85 RAB9A (0.61) ALDH1A1L3MBTL1MAPTHTTRAB9A
SCHEMBL12143938 0.83 SMN1; SMN2 (0.57) ALDH1A1L3MBTL1HTTRAB9AGAA
SCHEMBL11169677 0.83 PPID (0.60) ALDH1A1L3MBTL1MAPTNAMPTGAA
SCHEMBL5776970 0.83 NAMPT (0.58) ALDH1A1L3MBTL1MAPTHTTRAB9A
SCHEMBL13860776 0.81 MAPT (0.62) MAPTGAAKMT2ALMNA
SCHEMBL9976045 0.81 ALDH1A1 (0.59) ALDH1A1MAPTRAB9AGAAKMT2A
SCHEMBL15682691 0.81 MEN1 (0.53) ALDH1A1L3MBTL1MAPTHTTGAA
SCHEMBL29783179 0.80 RAB9A (0.73) ALDH1A1L3MBTL1MAPTHTTRAB9A
SCHEMBL25095027 0.79 PPID (0.59) ALDH1A1L3MBTL1MAPTNAMPTGAA
SCHEMBL19500124 0.79 RAB9A (0.55) ALDH1A1L3MBTL1MAPTHTTRAB9A

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-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 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-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A ALDH1A1 597/4885L3MBTL1 1083/4885MAPT 2881/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A ALDH1A1 597/4885L3MBTL1 1083/4885MAPT 2881/4885

“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.