SCHEMBL2108522

SCHEMBL2108522

O=C(NCCOc1ccccc1)c1cc2nc(Cl)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 5/20 0.50
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PYGL P06737 2/20 0.48
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL2107373 0.83 NPC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2APOBEC3A
SCHEMBL2107996 0.82 PYGL (0.51) NPC1RAB9AHPGDSMN1; SMN2PYGL
SCHEMBL6633192 0.76 NPC1 (0.51) NPC1RAB9AHPGDSMN1; SMN2PYGL
SCHEMBL2108212 0.76 NPC1 (0.51) NPC1RAB9AHPGDSMN1; SMN2APOBEC3A
SCHEMBL14653948 0.75 KDM4E (0.53) PYGLMAPK1ALDH1A1KDM4EKMT2A
SCHEMBL13996944 0.75 NPC1 (0.65) NPC1RAB9AHPGDSMN1; SMN2APOBEC3A
SCHEMBL8923634 0.74 NPC1 (0.68) NPC1RAB9AHPGDSMN1; SMN2APOBEC3A
SCHEMBL1202548 0.72 F7 (0.56) HPGDMAPTTSHRMAPK1ALDH1A1
SCHEMBL30189254 0.72 F7 (0.56) HPGDMAPTTSHRMAPK1ALDH1A1
SCHEMBL2108972 0.72 KDM4E (0.53) NPC1RAB9APYGLMAPTRECQL

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
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 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 (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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB NPC1 1659/4885RAB9A 4373/4885HPGD 306/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB NPC1 1659/4885RAB9A 4373/4885HPGD 306/4885

“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.