SCHEMBL6367990

SCHEMBL6367990

O=C(c1cc([N+](=O)[O-])cc2c1OCCCO2)N1CC(O)C(O)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
AR P10275 1/20 0.36
LMNA P02545 1/20 0.35
IDE P14735 1/20 0.35

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
SCHEMBL6369487 0.86 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6369035 0.85 HPGD (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6368499 0.84 SMN1; SMN2 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6374559 0.82 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1HPGDMEN1
SCHEMBL6369443 0.82 SMN1; SMN2 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6368757 0.80 HCRTR1 (0.43) HCRTR1HCRTR2SMN1; SMN2HPGD
SCHEMBL6369270 0.79 SMN1; SMN2 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7261988 0.79 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1HPGDMEN1
SCHEMBL11270948 0.77 L3MBTL1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1HPGDMAPT
Hydrochloric Acid SCHEMBL11271060 0.76 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2L3MBTL1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020661-A1 Substituted 1H-indole-2- carboxamides and 6H-thieno(2,3-b)pyrrole-5-carboxamides useful for inhibiting glycogen phosphorylase in a mammal GAMMILL RONALD B (US) 2005-01-27 US disclosed
US-6821977-B2 SUBSTITUTED 1H-(INDOLE-2- CARBOXAMIDES AND 6H-THIENO(2,3-B)PYRROLE-5-CARBOXAMIDES USEFUL FOR INHIBITING GLYCOGEN PHOSPHORYLASE IN A MAMMAL PFIZER, INC. 2004-11-23 US disclosed
US-20030199553-A1 Antidiabetic agents GAMMILL RONALD B (US) 2003-10-23 US disclosed
WO-2003072570-A1 ANTIDIABETIC AGENTS PFIZER PRODUCTS INC. (US) 2003-09-04 WO disclosed
EP-1340500-A1 Antidiabetic agents Pfizer Products Inc. (US) 2003-09-03 EP 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-20030199553-A1 Antidiabetic agents GPR119, IRS1, INSR ALDH1A1 1021/4885NPC1 27/4885RAB9A 735/4885
US-20050020661-A1 Substituted 1H-indole-2- carboxamides and 6H-thieno(2,3-b)pyrrole-5-carboxamides useful for inhibiting glycogen phosphorylase in a mammal PYGM, PYGL, IRS1 ALDH1A1 2263/4885NPC1 1066/4885RAB9A 2493/4885

“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.