SCHEMBL2850348

SCHEMBL2850348

NC(=O)CCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
LOXL2 Q9Y4K0 1/20 0.53
IDO1 P14902 4/20 0.51
KCNJ1 P48048 2/20 0.51
ALDH1A1 P00352 3/20 0.49
CYP2C19 P33261 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KCNH2 Q12809 2/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL6821944 0.95 TSHR (0.58) TSHRMAPTKMT2ALOXL2IDO1
SCHEMBL530075 0.91 TSHR (0.61) TSHRMAPTKMT2ALOXL2IDO1
Tromethamine SCHEMBL8637539 0.89 TSHR (0.53) TSHRMAPTKMT2ALOXL2IDO1
SCHEMBL135651 0.86 TSHR (0.59) TSHRMAPTKMT2AKCNJ1ALDH1A1
SCHEMBL8934569 0.84 TSHR (0.58) TSHRMAPTKMT2ALOXL2KCNJ1
SCHEMBL5030925 0.84 TSHR (0.58) TSHRMAPTKMT2ALOXL2KCNJ1
Hydrochloric Acid SCHEMBL5030930 0.84 TSHR (0.58) TSHRMAPTKMT2AKCNJ1ALDH1A1
SCHEMBL8813056 0.84 TSHR (0.58) TSHRMAPTKMT2ALOXL2IDO1
SCHEMBL7733298 0.84 TSHR (0.58) TSHRMAPTKMT2ALOXL2KCNJ1
SCHEMBL8770332 0.83 TSHR (0.53) TSHRMAPTKMT2ALOXL2KCNJ1

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 36 patents — showing the first 20. 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
WO-2019135600-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME 기초과학연구원 2019-07-11 WO disclosed
EP-2683694-B1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2016-04-27 EP disclosed
EP-2683694-B1 ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2016-04-27 EP disclosed
CN-103608333-B Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS INC. (CN) 2016-01-06 CN disclosed
US-9216957-B2 Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2015-12-22 US disclosed
US-9216957-B2 Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2015-12-22 US disclosed
US-9216957-B2 Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2015-12-22 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
US-5861535-A Reductive alkylation process to prepare tertiary aminoaryl compounds EASTMAN KODAK COMPANY (US) 1999-01-19 US disclosed
WO-1996040761-A9 MODIFIED AVIDIN AND STREPTAVIDIN AND METHODS OF USE THEREOF 1997-01-30 WO disclosed
WO-1996004246-A1 PHENYLACETAMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1996-02-15 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 (4 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-20080039442-A1 Compounds With Kv4 Ion Channel Activity KCNA4, HCN4, KCNN4 TSHR 1950/4885MAPT 1329/4885KMT2A 1394/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 TSHR 3666/4885MAPT 3590/4885KMT2A 2659/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 TSHR 156/4885MAPT 517/4885KMT2A 693/4885
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 TSHR 874/4885MAPT 1729/4885KMT2A 1740/4885

“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.