SCHEMBL361384

SCHEMBL361384

O=C(O)C(=O)NCc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
HTT P42858 2/20 0.62
RAB9A P51151 1/20 0.62
LMNA P02545 1/20 0.61
ALDH1A1 P00352 4/20 0.59
MAPT P10636 2/20 0.59
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
HSD17B10 Q99714 2/20 0.54
MMP13 P45452 1/20 0.54
NAMPT P43490 1/20 0.53
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL29783179 0.90 RAB9A (0.73) SMN1; SMN2HTTRAB9ALMNAALDH1A1
SCHEMBL30437853 0.83 GAA (0.64) SMN1; SMN2HTTRAB9ALMNAALDH1A1
SCHEMBL334662 0.83 GAA (0.64) SMN1; SMN2HTTRAB9ALMNAALDH1A1
SCHEMBL10163741 0.82 HTT (0.70) SMN1; SMN2HTTRAB9ALMNAALDH1A1
Hydrochloric Acid SCHEMBL7601454 0.82 GAA (0.62) SMN1; SMN2HTTRAB9ALMNAALDH1A1
SCHEMBL21065527 0.81 HTT (0.68) HTTRAB9AALDH1A1MAPTGAA
SCHEMBL1867492 0.81 ALDH1A1 (0.61) SMN1; SMN2LMNAALDH1A1MAPTGAA
SCHEMBL10818916 0.81 ALDH1A1 (0.56) SMN1; SMN2HTTRAB9ALMNAALDH1A1
SCHEMBL805287 0.79 RAB9A (0.61) SMN1; SMN2HTTRAB9ALMNAALDH1A1
SCHEMBL13130715 0.79 HTT (0.66) SMN1; SMN2HTTRAB9ALMNAALDH1A1

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 9 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

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 SMN1; SMN2 166/4885HTT 152/4885RAB9A 1278/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A SMN1; SMN2 166/4885HTT 152/4885RAB9A 1278/4885

“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.