SCHEMBL9628754

SCHEMBL9628754

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.65
TSHR P16473 1/20 0.64
SIGMAR1 Q99720 1/20 0.62
CDC25C P30307 3/20 0.56
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
PYCR1 P32322 1/20 0.48

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
SCHEMBL9628028 0.92 KCNH2 (0.74) KCNH2TSHRSIGMAR1CDC25CMEN1
SCHEMBL13897015 0.85 KCNH2 (0.72) KCNH2TSHRSIGMAR1CDC25CMEN1
SCHEMBL3156368 0.85 KCNH2 (0.61) KCNH2TSHRSIGMAR1CDC25CMEN1
SCHEMBL3143117 0.83 KCNH2 (0.64) KCNH2TSHRSIGMAR1CDC25CMEN1
Hydrochloric Acid SCHEMBL9628308 0.83 SIGMAR1 (0.64) KCNH2TSHRSIGMAR1CDC25CMEN1
SCHEMBL3716392 0.82 SIGMAR1 (0.65) KCNH2TSHRSIGMAR1MEN1KMT2A
SCHEMBL777298 0.81 KCNH2 (0.60) KCNH2TSHRSIGMAR1CDC25CPYCR1
SCHEMBL3396672 0.80 KCNH2 (0.57) KCNH2TSHRSIGMAR1CDC25CMEN1
SCHEMBL9628784 0.80 KCNH2 (0.57) KCNH2TSHRSIGMAR1CDC25CMEN1
Methyl Alcohol SCHEMBL5318262 0.79 TSHR (0.92) KCNH2TSHRALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289718-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES HOFFMANN-LA ROCHE INC. (US) 2016-10-06 US disclosed
EP-0245997-B1 N-SUBSTITUTED P-AMINOETHYLSULPHON ANILIDES AS ANTIARRHYTHMIC AGENTS, AND INTERMEDIATES THEREFOR Pfizer Limited (GB) 1992-04-15 EP disclosed
US-5079248-A Antifibrillatory agents; side effect reduction PFIZER INC. (US) 1992-01-07 US disclosed
US-4959366-A Anti-arrhythmic agents PFIZER INC. (US) 1990-09-25 US disclosed
EP-0245997-A2 N-substituted p-aminoethylsulphon anilides as antiarrhythmic agents, and intermediates therefor Pfizer Limited (GB) 1987-11-19 EP 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-20160289718-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES TAAR1, TAAR5, TACR2 KCNH2 745/4885TSHR 17/4885SIGMAR1 18/4885

“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.