SCHEMBL6443702

SCHEMBL6443702

O=[N+]([O-])c1cc(CBr)c(O)c(CBr)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
HTT P42858 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.50
GPR35 Q9HC97 4/20 0.48
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL14439766 0.84 ERN1 (0.55) MEN1HTTKMT2ALMNAGPR35
SCHEMBL4457410 0.81 HTT (0.48) MEN1HTTKMT2ALMNAGPR35
SCHEMBL12492530 0.81 MEN1 (0.52) MEN1HTTKMT2ALMNAGPR35
SCHEMBL9775523 0.81 HTT (0.64) MEN1HTTKMT2ALMNAGPR35
SCHEMBL11333449 0.79 MEN1 (0.50) MEN1HTTKMT2ALMNAGPR35
SCHEMBL131912 0.79 GPR35 (0.56) MEN1KMT2AGPR35ALDH1A1ALOX15
SCHEMBL30517202 0.77 HTT (0.50) MEN1HTTKMT2ALMNAGPR35
SCHEMBL14446499 0.76 ALDH1A1 (0.55) MEN1HTTKMT2ALMNAGPR35
SCHEMBL29368452 0.75 CYP1A2 (0.47) MEN1HTTKMT2ALMNAGPR35
SCHEMBL260864 0.75 CYP1A2 (0.47) MEN1HTTKMT2ALMNAGPR35

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 MEN1 2789/4885HTT 4776/4885KMT2A 1755/4885
US-20040019239-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A MEN1 2789/4885HTT 4776/4885KMT2A 1755/4885

“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.