SCHEMBL4086572

SCHEMBL4086572

NC(=O)c1cc(F)ccc1C[CH]C(=O)N1CCC2(CC1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 9/20 0.41
RAB9A P51151 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL3140771 0.88 NPC1 (0.40) NPC1KMT2AALDH1A1RAB9AGAA
SCHEMBL3140703 0.82 PARP1 (0.43) ALDH1A1
SCHEMBL4096182 0.78 HTR2A (0.40) ALDH1A1
SCHEMBL3140842 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3127933 0.72 BCHE (0.44) KMT2ASMN1; SMN2
SCHEMBL4080928 0.70 P2RX7 (0.40) KMT2AALDH1A1SMN1; SMN2
SCHEMBL3609213 0.69 KMT2A (0.53) KMT2AALDH1A1KDM4EHPGD
SCHEMBL3603302 0.68 WNT1 (0.40) NPC1KMT2AALDH1A1RAB9AGAA
SCHEMBL3140453 0.66 HPGD (0.43) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL7364619 0.66 BTK (0.37) KMT2A

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-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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB NPC1 1659/4885KMT2A 2476/4885ALDH1A1 720/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB NPC1 1659/4885KMT2A 2476/4885ALDH1A1 720/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB NPC1 1659/4885KMT2A 2476/4885ALDH1A1 720/4885

“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.