SCHEMBL2479710

SCHEMBL2479710

CN(CCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
KCNH2 Q12809 6/20 0.54
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
SIGMAR1 Q99720 3/20 0.51
CDC25C P30307 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
PKM P14618 1/20 0.48
PYCR1 P32322 1/20 0.48
TMEM97 Q5BJF2 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
SCHEMBL4810294 0.85 CRHBP (0.61) TSHRKCNH2CRHBPCRHR2SIGMAR1
SCHEMBL23728043 0.84 MEN1 (0.52) TSHRKCNH2CRHBPCRHR2SIGMAR1
SCHEMBL3534499 0.83 KCNH2 (0.53) TSHRKCNH2SIGMAR1CDC25CMEN1
SCHEMBL6956249 0.82 KCNH2 (0.60) TSHRKCNH2SIGMAR1CDC25CMEN1
SCHEMBL777298 0.81 KCNH2 (0.60) TSHRKCNH2CRHBPCRHR2SIGMAR1
SCHEMBL9628028 0.81 KCNH2 (0.74) TSHRKCNH2CRHBPCRHR2SIGMAR1
SCHEMBL20380500 0.81 CRHBP (0.59) TSHRKCNH2CRHBPCRHR2CDC25C
SCHEMBL3143117 0.80 KCNH2 (0.64) TSHRKCNH2CRHBPCRHR2SIGMAR1
SCHEMBL992030 0.80 KCNH2 (0.50) TSHRKCNH2SIGMAR1CDC25CMEN1
SCHEMBL15618795 0.80 ALDH1A1 (0.51) CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373694-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BioMarin Pharmaceutical Inc. (US) 2011-10-12 EP disclosed
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 WO disclosed
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
US-7645752-B2 Sulfonyl substituted 1H-indoles as ligands for the 5-hydroxytryptamine receptors WYETH LLC (US) 2010-01-12 US disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors WYETH (US) 2007-08-30 US disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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 (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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A TSHR 453/4885KCNH2 1505/4885CRHBP 712/4885
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors HTR5A, HTR2C, HTR2A TSHR 193/4885KCNH2 559/4885CRHBP 750/4885

“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.