SCHEMBL10330271

SCHEMBL10330271

CCn1nc(C)cc1NC=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
STAT1 P42224 1/20 0.35
GLS O94925 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34

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
SCHEMBL22888690 0.83 GAA (0.39) GAAKDM4EALDH1A1GLATSHR
SCHEMBL20413728 0.79 GAA (0.50) GAAKDM4EALDH1A1GLAMAPT
SCHEMBL3754279 0.78 GAA (0.50) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL25825666 0.77 GAA (0.51) GAAKDM4EALDH1A1MAPTADORA2A
SCHEMBL6564214 0.77 GAA (0.59) GAAKDM4EALDH1A1GLAMAPT
SCHEMBL14621230 0.76 GAA (0.57) GAAKDM4EALDH1A1GLAMAPT
SCHEMBL8245676 0.76 SMN1; SMN2 (0.53) GAAKDM4ETSHRLMNASMN1; SMN2
SCHEMBL583369 0.75 GAA (0.70) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL27783202 0.73 GAA (0.54) GAAKDM4EALDH1A1GLAMAPT
SCHEMBL2520896 0.72 ALDH1A1 (0.42) GAAKDM4EALDH1A1GLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20140323448-A1 sGC STIMULATORS Ironwood Pharmaceuticals Inc. (US) 2014-10-30 US disclosed
US-8748442-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-20120184516-A1 sGC Stimulators CYCLERION THERAPEUTICS, INC. 2012-07-19 US 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 (3 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-20140323448-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 GAA 556/4885KDM4E 2445/4885ALDH1A1 1325/4885
US-20120184516-A1 sGC Stimulators GUCY1A1, PTGIS, GUCY1B1 GAA 556/4885KDM4E 2445/4885ALDH1A1 1325/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 GAA 556/4885KDM4E 2445/4885ALDH1A1 1325/4885

“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.