SCHEMBL4170811

SCHEMBL4170811

NC(=O)c1cnc(N)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 7/20 0.44
MET P08581 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.42
NNMT P40261 1/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP6 P55212 1/20 0.40
ATM Q13315 1/20 0.39
CTPS1 P17812 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL31423765 1.00 PARP1 (0.50) PARP1SMN1; SMN2CYP3A4LMNAMET
SCHEMBL31423772 0.86 LMNA (0.56) LMNAMETALDH1A1TSHRKDM4E
SCHEMBL712818 0.86 LMNA (0.56) LMNAMETALDH1A1TSHRKDM4E
SCHEMBL31423773 0.86 LMNA (0.56) LMNAMETALDH1A1TSHRKDM4E
SCHEMBL2303103 0.85 LMNA (0.42) PARP1CYP3A4LMNAALDH1A1TSHR
SCHEMBL7180111 0.83 PARP1 (0.50) PARP1SMN1; SMN2CYP3A4LMNAMET
SCHEMBL805262 0.81 PARP1 (0.49) PARP1SMN1; SMN2CYP3A4LMNAMET
SCHEMBL16095613 0.81 PARP1 (0.49) PARP1SMN1; SMN2CYP3A4LMNAMET
SCHEMBL5248286 0.81 MAPK1 (0.56) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL27488036 0.79 LMNA (0.41) PARP1SMN1; SMN2LMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound ELMAN BJORN 2009-10-01 US disclosed
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound ELMAN BJORN 2009-10-01 US disclosed
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound ELMAN BJORN 2009-10-01 US disclosed
US-20060063797-A1 Process for preparing a substituted imidazopyridine compound ELMAN BJORN 2006-03-23 US disclosed
EP-1073657-B1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2005-12-07 EP disclosed
US-6900324-B2 Process for preparing a substituted imidazopyridine compound ASTRAZENECA AB (SE) 2005-05-31 US disclosed
EP-1317455-B9 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
EP-1317455-B1 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND ASTRAZENECA AB (SE) 2004-08-04 EP disclosed
US-20040039013-A1 Process for preparing a substituted imidazopyridine compound ASTRAZENECA AB (SE) 2004-02-26 US disclosed
EP-1317455-A1 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020523-A1 PROCESS FOR PREPARING A SUBSTITUTED IMIDAZOPYRIDINE COMPOUND ASTRAZENECA AB (SE) 2002-03-14 WO disclosed
US-6313137-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 US disclosed
EP-1073657-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION AstraZeneca AB (SE) 2001-02-07 EP disclosed
WO-1999055706-A9 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRA AB (SE) 2000-03-16 WO disclosed
WO-1999055706-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 1999-11-04 WO disclosed
US-5863916-A 8-aza, 6-aza and 6,8-diaza-1,4-dihydroquinoxaline-2,3-diones and the use thereof as antagonists for the glycine/NMDA receptor STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER-EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1999-01-26 US disclosed
US-5620978-A 8-aza, 6-aza and 6,8-diaza-1,4-dihydroquinoxaline-2,3-diones and the use thereof as antagonists for the glycine/NMDA receptor STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 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-20060063797-A1 Process for preparing a substituted imidazopyridine compound NISCH, CYP1B1, CYP1A2 PARP1 876/4885SMN1; SMN2 2455/4885CYP3A4 8/4885
US-20090247755-A1 Process for Preparing a Substituted Imidazopyridine Compound NISCH, CYP1A2, CYP1B1 PARP1 967/4885SMN1; SMN2 2481/4885CYP3A4 13/4885
US-20040039013-A1 Process for preparing a substituted imidazopyridine compound CYP1B1, BRD1, SKP1 PARP1 762/4885SMN1; SMN2 2736/4885CYP3A4 24/4885

“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.