SCHEMBL17795657

SCHEMBL17795657

CCCCN(C)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.68
MAPT P10636 1/20 0.62
PYCR1 P32322 1/20 0.59
SIGMAR1 Q99720 3/20 0.54
TMEM97 Q5BJF2 2/20 0.54
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CDC25C P30307 2/20 0.47
ALDH1A1 P00352 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44

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
SCHEMBL3153147 0.94 KCNH2 (0.68) KCNH2MAPTPYCR1SIGMAR1TMEM97
Hydrochloric Acid SCHEMBL11139253 0.92 KCNH2 (0.67) KCNH2MAPTPYCR1SIGMAR1TMEM97
SCHEMBL3156616 0.90 KCNH2 (0.62) KCNH2MAPTPYCR1SIGMAR1TMEM97
SCHEMBL3152144 0.87 KCNH2 (0.68) KCNH2MAPTPYCR1SIGMAR1TMEM97
SCHEMBL5213120 0.84 KCNH2 (0.67) KCNH2MAPTPYCR1SIGMAR1TMEM97
SCHEMBL3143117 0.83 KCNH2 (0.64) KCNH2PYCR1SIGMAR1TMEM97CRHBP
SCHEMBL3146890 0.83 KCNH2 (0.62) KCNH2MAPTPYCR1SIGMAR1TMEM97
SCHEMBL5208558 0.83 KCNH2 (0.71) KCNH2MAPTPYCR1SIGMAR1TMEM97
SCHEMBL3154646 0.83 PYCR1 (0.66) KCNH2MAPTPYCR1SIGMAR1TMEM97
SCHEMBL7132148 0.82 MAPT (0.53) KCNH2MAPTPYCR1SIGMAR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 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 (1 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-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 KCNH2 3850/4885MAPT 4213/4885PYCR1 231/4885

“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.