SCHEMBL1496443

SCHEMBL1496443

CC(C)Nc1cccnc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HCAR3 P49019 1/20 0.40
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 1/20 0.38
KCNH3 Q9ULD8 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 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
SCHEMBL7697936 0.87 MAPT (0.39) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL2267030 0.81 ALDH1A1 (0.46) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL31419067 0.81 ALDH1A1 (0.46) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL21410907 0.78 PAX8 (0.38) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL1620480 0.77 KMT2A (0.43) LMNAMAPTKMT2AMEN1L3MBTL1
SCHEMBL9438386 0.77 MAPT (0.47) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL2483154 0.77 SMN1; SMN2 (0.46) IDO1LMNASMN1; SMN2MAPTALDH1A1
Fluoride SCHEMBL23234546 0.76 NPC1 (0.43) LMNAMAPTKMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL28516416 0.76 KMT2A (0.42) LMNAMAPTKMT2AMEN1L3MBTL1
SCHEMBL10745616 0.75 KMT2A (0.53) LMNASMN1; SMN2MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105001302-A Cyclic peptide inhibitors of hepatitis C virus replication INTERMUNE INC 2015-10-28 CN disclosed
CN-102741270-B Cyclic peptide inhibitors of hepatitis C virus replication INTERMUNE INC 2015-07-22 CN disclosed
EP-2483290-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2012-08-08 EP disclosed
EP-2225245-B1 N-phenyl-imidazo(1,2-a)pyridine-2-carboxamide compounds, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2011-10-19 EP disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
US-20100317620-A1 N-PHENYLIMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE COMPOUNDS, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
CN-101910175-A N-phenylimidazo [1,2-a ] pyridine-2-carboxamide compounds, preparation and therapeutic use thereof SANOFI AVENTIS 2010-12-08 CN disclosed
EP-2225245-A2 N-PHENYL-IMIDAZOÝ1,2-A¨PYRIDINE-2-CARBOXAMIDE COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-09-08 EP disclosed
WO-2009115651-A2 N-PHENYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-24 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 (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-20100317620-A1 N-PHENYLIMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE COMPOUNDS, PREPARATION AND THERAPEUTIC USE THEREOF GLS, REN, XDH IDO1 1714/4885LMNA 890/4885SMN1; SMN2 172/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 IDO1 1194/4885LMNA 1625/4885SMN1; SMN2 3157/4885

“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.