SCHEMBL6441273

SCHEMBL6441273

[Zn]CCN(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
KDM4E B2RXH2 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
AOC3 Q16853 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL4194791 0.85 KCNH2 (0.52) KCNH2MTNR1AMTNR1BKDM4ESIGMAR1
SCHEMBL10425499 0.82 KCNH2 (0.50) KCNH2MTNR1AMTNR1BKDM4ESIGMAR1
SCHEMBL138431 0.80 KCNH2 (0.50) KCNH2MTNR1AMTNR1BKDM4ESIGMAR1
SCHEMBL4970515 0.80 KCNH2 (0.50) KCNH2MTNR1AMTNR1BSIGMAR1
SCHEMBL10830280 0.78 KCNH2 (0.48) KCNH2MTNR1AMTNR1BSIGMAR1
SCHEMBL4194250 0.78 KCNH2 (0.48) KCNH2MTNR1AMTNR1BSIGMAR1
SCHEMBL10709592 0.76 KCNH2 (0.45) KCNH2MTNR1AMTNR1BKDM4ESIGMAR1
SCHEMBL6702920 0.76 KCNH2 (0.45) KCNH2MTNR1AMTNR1BKDM4ESIGMAR1
SCHEMBL11707931 0.76 KCNH2 (0.45) KCNH2MTNR1AMTNR1BKDM4ESIGMAR1
SCHEMBL158097 0.76 MTNR1A (0.48) KCNH2MTNR1AMTNR1BKDM4ESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919456-B2 Catalytic compositions and methods for asymmetric aldol reactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-07-19 US disclosed
EP-1409122-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-04-21 EP disclosed
US-20040019239-A1 Catalytic compositions and methods for asymmetric aldol reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-6610889-B2 Using organometallic complex catalyst THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-08-26 US disclosed
US-20020147367-A1 Catalytic compositions and methods for asymmetric aldol reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-10-10 US disclosed
WO-2002041984-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2002-05-30 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 (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-20020147367-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A KCNH2 729/4885MTNR1A 4603/4885MTNR1B 4036/4885
US-20040019239-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A KCNH2 729/4885MTNR1A 4603/4885MTNR1B 4036/4885

“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.