SCHEMBL4343601

SCHEMBL4343601

CN(C)c1ccc(N=Nc2ccc(Br)cn2)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.64
RIOK2 Q9BVS4 1/20 0.56
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
PLAU P00749 1/20 0.39
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4343598 1.00 KCNH2 (0.64) KCNH2RIOK2ALDH1A1MAPTKMT2A
SCHEMBL29397420 0.86 KCNH2 (0.47) KCNH2RIOK2ALDH1A1MAPTKMT2A
SCHEMBL272970 0.86 KCNH2 (0.47) KCNH2RIOK2ALDH1A1MAPTKMT2A
SCHEMBL29397508 0.86 KCNH2 (0.47) KCNH2RIOK2ALDH1A1MAPTKMT2A
SCHEMBL272969 0.86 KCNH2 (0.47) KCNH2RIOK2ALDH1A1MAPTKMT2A
SCHEMBL20275930 0.85 KCNH2 (0.65) KCNH2RIOK2MAPTKMT2AMEN1
SCHEMBL25658307 0.85 MAPT (0.47) KCNH2RIOK2ALDH1A1MAPTKMT2A
SCHEMBL8206882 0.85 KCNH2 (0.46) KCNH2RIOK2ALDH1A1MAPTKMT2A
Bromide SCHEMBL30705401 0.85 KCNH2 (0.48) KCNH2RIOK2ALDH1A1MAPTKMT2A
SCHEMBL29186037 0.84 KCNH2 (0.44) KCNH2RIOK2ALDH1A1MAPTKMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056302-A1 Decontamination method of metal surface contaminated by radioactive element Atomic Energy Council - Institute of Nuclear Energy Research (TW) 2009-05-06 EP claimed
US-20090112042-A1 Decontamination method of metal surface contaminated by radioactive element ATOMIC ENERGY COUNCIL - INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2009-04-30 US claimed
CN-1261766-C Serum copper, iron and zinc rapid sensitive detection kit and preparing method thereof WENZHOU MEDICAL INST (CN) 2006-06-28 CN claimed
CN-1635379-A Serum copper, iron and zinc rapid sensitive detection kit and preparing method thereof CAO JIANMING (CN) 2005-07-06 CN claimed
US-9528143-B2 Tracer reagents that enhance reaction-product analysis SIGMA-ALDRICH CO. LLC (US) 2016-12-27 US disclosed
US-20090269543-A1 OPTICAL RECORDING MEDIUM TDK CORPORATION (JP) 2009-10-29 US disclosed
US-20090269543-A1 OPTICAL RECORDING MEDIUM TDK CORPORATION (JP) 2009-10-29 US disclosed
US-20090226658-A1 Optical Recording Medium TDK CORPORATION (JP) 2009-09-10 US disclosed
US-20090226658-A1 Optical Recording Medium TDK CORPORATION (JP) 2009-09-10 US disclosed
US-20090149660-A1 OPTICAL RECORDING MATERIAL AND OPTICAL RECORDING MEDIA TDK CORPORATION (JP) 2009-06-11 US disclosed
US-20090149660-A1 OPTICAL RECORDING MATERIAL AND OPTICAL RECORDING MEDIA TDK CORPORATION (JP) 2009-06-11 US disclosed
EP-2056302-A1 Decontamination method of metal surface contaminated by radioactive element Atomic Energy Council - Institute of Nuclear Energy Research (TW) 2009-05-06 EP disclosed
US-7169584-B2 Tracer reagents that enhance reaction-product analysis SIGMA-ALDRICH CO. (US) 2007-01-30 US disclosed
CN-1261766-C Serum copper, iron and zinc rapid sensitive detection kit and preparing method thereof WENZHOU MEDICAL INST (CN) 2006-06-28 CN disclosed
US-6942964-B1 Tracer reagents that enhance reaction-product analysis SIGMA-ALDRICH CO. (US) 2005-09-13 US disclosed
US-20050148011-A1 Tracer reagents that enhance reaction-product analysis SIGMA-ALDRICH CO. (US) 2005-07-07 US disclosed
US-20050148010-A1 Tracer reagents that enhance reaction-product analysis SIGMA-ALDRICH CO. (US) 2005-07-07 US disclosed
US-20050148009-A1 Tracer reagents that enhance reaction-product analysis SIGMA-ALDRICH CO. (US) 2005-07-07 US disclosed
CN-1635379-A Serum copper, iron and zinc rapid sensitive detection kit and preparing method thereof CAO JIANMING (CN) 2005-07-06 CN disclosed
EP-0592674-B1 METHOD OF ASSAYING METAL PRESENT IN BIOLOGICAL SPECIMEN AND REAGENT THEREFOR IATRON LAB (JP) 2000-11-29 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-20090149660-A1 OPTICAL RECORDING MATERIAL AND OPTICAL RECORDING MEDIA KCNN4, CACNA1E, KCNN2 KCNH2 6/4885RIOK2 1997/4885ALDH1A1 1253/4885

“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.