SCHEMBL498047

SCHEMBL498047

CCCCCCC#Cc1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.41
KCNH2 Q12809 2/20 0.40
PDE7A Q13946 1/20 0.38
CYP19A1 P11511 4/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
AR P10275 1/20 0.36
ESPL1 Q14674 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL25756855 0.88 ALDH1A1 (0.53) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL25756934 0.88 ALDH1A1 (0.53) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL6791446 0.85 ALDH1A1 (0.55) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL25756941 0.85 ALDH1A1 (0.42) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL25756864 0.83 ALDH1A1 (0.42) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL2791323 0.82 ALDH1A1 (0.51) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL1407841 0.79 ALDH1A1 (0.43) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL1921412 0.77 VCAM1 (0.52) ALDH1A1POLBKCNH2KMT2AMAPT
SCHEMBL12872354 0.76 ALDH1A1 (0.46) ALDH1A1POLBKCNH2PDE7ACYP19A1
SCHEMBL13520584 0.74 FFAR1 (0.52) ALDH1A1KCNH2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8106209-B2 Substituted aminothiazole prodrugs of compounds with anti-HCV activity ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106209-B2 Substituted aminothiazole prodrugs of compounds with anti-HCV activity ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
EP-2297143-A1 SUBSTITUTED AMINOTHIAZOLE PRODRUGS OF COMPOUNDS WITH ANTI-HCV ACTIVITY Achillion Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
US-20110039933-A1 S1P-1 RECEPTOR AGONISTS PRAECIS PHARMACEUTICALS INCORPORATION (US) 2011-02-17 US disclosed
US-20110039933-A1 S1P-1 RECEPTOR AGONISTS PRAECIS PHARMACEUTICALS INCORPORATION (US) 2011-02-17 US disclosed
EP-2164846-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS. Achillion Pharmaceuticals, Inc. (US) 2010-03-24 EP disclosed
WO-2009149436-A1 SUBSTITUTED AMINOTHIAZOLE PRODRUGS OF COMPOUNDS WITH ANTI-HCV ACTIVITY ACHILLION PHARMACEUTICALS, INC. (US) 2009-12-10 WO disclosed
US-20090304605-A1 Substituted Aminothiazole Prodrugs of Compounds with Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20090304605-A1 Substituted Aminothiazole Prodrugs of Compounds with Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
WO-2008147557-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2008-12-04 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 (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-20090304605-A1 Substituted Aminothiazole Prodrugs of Compounds with Anti-HCV Activity BCAT1, CCNT1, EIF2AK2 ALDH1A1 1055/4885POLB 921/4885KCNH2 3730/4885
US-20110039933-A1 S1P-1 RECEPTOR AGONISTS S1PR1, S1PR5, S1PR2 ALDH1A1 2195/4885POLB 3370/4885KCNH2 2056/4885
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES CYP3A43, CYP3A7, HAVCR2 ALDH1A1 474/4885POLB 4019/4885KCNH2 1410/4885

“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.