SCHEMBL6630478

SCHEMBL6630478

O=C1[C]CSc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
GAA P10253 7/20 0.42
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
NOX1 Q9Y5S8 2/20 0.42
POLB P06746 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
CYP1A2 P05177 1/20 0.42
BCHE P06276 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAOA P21397 1/20 0.42
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL13323 0.71 ALDH1A1 (0.60) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL943141 0.71 GAA (0.46) ALDH1A1GAAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL30648399 0.69 ALDH1A1 (0.58) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL11286921 0.68 ALDH1A1 (0.44) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL3469293 0.68 ALDH1A1 (0.44) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL1756087 0.68 HDAC1 (0.51) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL6345921 0.68 ALDH1A1 (0.56) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL19497757 0.67 ALDH1A1 (0.60) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL61132 0.67 AHR (0.50) GAAMEN1KMT2AMAPTCYP1A2
SCHEMBL8024749 0.67 ALDH1A1 (0.46) ALDH1A1GAAMEN1KMT2AMAPT

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
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 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 (1 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL ALDH1A1 3884/4885GAA 19/4885MEN1 4601/4885

“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.