SCHEMBL2850347

SCHEMBL2850347

CCC(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
CA2 P00918 1/20 0.52
EPHX1 P07099 1/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL6821941 0.87 APOBEC3A (0.62) APOBEC3AAPOBEC3GCYP2C19CYP2C9L3MBTL1
SCHEMBL22145338 0.84 ALDH1A1 (0.62) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3999174 0.83 APOBEC3A (0.58) APOBEC3AAPOBEC3GCYP2C19CYP2C9L3MBTL1
SCHEMBL27447146 0.83 CYP2C19 (0.56) APOBEC3AAPOBEC3GCYP2C19CYP2C9L3MBTL1
SCHEMBL1804701 0.83 NPC1 (0.58) APOBEC3AAPOBEC3GL3MBTL1CA2EPHX1
SCHEMBL17515332 0.83 HPGD (0.63) APOBEC3AAPOBEC3GCYP2C19CYP2C9L3MBTL1
SCHEMBL1521016 0.81 PTPRF (0.57) APOBEC3AAPOBEC3GCYP2C19CYP2C9L3MBTL1
SCHEMBL27968659 0.81 L3MBTL1 (0.57) APOBEC3AAPOBEC3GCYP2C19CYP2C9L3MBTL1
SCHEMBL17372440 0.81 APOBEC3A (0.59) APOBEC3AAPOBEC3GCYP2C19CYP2C9L3MBTL1
SCHEMBL14861111 0.80 GAA (0.58) APOBEC3AAPOBEC3GCYP2C19CYP2C9L3MBTL1

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-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US claimed
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US claimed
EP-1838690-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY Devgen N.V. (BE) 2007-10-03 EP claimed
EP-1819330-A1 5-CARBOXAMIDO SUBSTITUED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY Devgen N.V. (BE) 2007-08-22 EP claimed
WO-2006066879-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY DEVGEN N.V. (BE) 2006-06-29 WO claimed
WO-2006058905-A1 5-CARBOXAMIDO SUBSTITUTED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE Kv FAMILY DEVGEN NV (BE) 2006-06-08 WO claimed
US-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US disclosed
EP-1838690-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY Devgen N.V. (BE) 2007-10-03 EP disclosed
EP-1819330-A1 5-CARBOXAMIDO SUBSTITUED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY Devgen N.V. (BE) 2007-08-22 EP disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
WO-2006066879-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY DEVGEN N.V. (BE) 2006-06-29 WO disclosed
WO-2006058905-A1 5-CARBOXAMIDO SUBSTITUTED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE Kv FAMILY DEVGEN NV (BE) 2006-06-08 WO disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (5 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 APOBEC3A 4115/4885APOBEC3G 4521/4885CYP2C19 1755/4885
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity KCNA4, HCN4, KCNN4 APOBEC3A 4679/4885APOBEC3G 4468/4885CYP2C19 812/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 APOBEC3A 4115/4885APOBEC3G 4521/4885CYP2C19 1755/4885
US-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO APOBEC3A 3612/4885APOBEC3G 3451/4885CYP2C19 4885/4885
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family KCNA5, KCNA1, KCNJ2 APOBEC3A 4736/4885APOBEC3G 4760/4885CYP2C19 1213/4885

“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.