SCHEMBL3536100

SCHEMBL3536100

O=C(CCCBr)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
VCAM1 P19320 4/20 0.31
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RECQL P46063 2/20 0.31

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
SCHEMBL3537007 0.94 KMT2A (0.40) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL8996129 0.92 KMT2A (0.39) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL8996230 0.92 KMT2A (0.39) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL3940182 0.92 KMT2A (0.39) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL17337909 0.89 KMT2A (0.48) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL4953772 0.89 KMT2A (0.44) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL25495837 0.87 KMT2A (0.43) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL21049231 0.87 KMT2A (0.43) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL522462 0.87 KMT2A (0.43) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL8003191 0.84 KMT2A (0.41) KMT2AMEN1TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723529-B2 Process for preparing nitrooxy esters, nitrooxy thioesters nitrooxy carbonates and nitrooxy thiocarbinates, intermediates useful in said process and preparation thereof NICOX S.A. (FR) 2010-05-25 US disclosed
CN-100496490-C Nitrooxy derivatives of losartan, valsartan, candesartan, telmisartan, eprosartan and olmesartan as angiotensin II receptor blockers for the treatment of cardiovascular diseases NICOX SA (FR) 2009-06-10 CN disclosed
EP-1653950-B1 NITROOXY DERIVATIVES OF LOSARTAN, VALSATAN, CANDESARTAN, TELMISARTAN, EPROSARTAN AND OLMESARTAN AS ANGIOTENSIN-II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX SA (FR) 2008-01-09 EP disclosed
US-20070238882-A1 Process for Preparing Nitrooxy Esters, Nitrooxy Thioesters Nitrooxy Carbonates and Nitrooxy Thiocarbinates, Intermediates Useful in Said Process and Preparation Thereof NICOX S.A. (FR) 2007-10-11 US disclosed
CN-1984871-A Process for preparing nitrooxy esters, nitrooxy thioesters, nitrooxy carbonates and nitrooxy thiocarbonates, intermediates useful in said process and preparation thereof NICOX SA (FR) 2007-06-20 CN disclosed
EP-1778617-A1 PROCESS FOR PREPARING NITROOXY ESTERS, NITROOXY THIOESTERS, NITROOXY CARBONATES AND NITROOXY THIOCARBONATES, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NicOx S.A. (FR) 2007-05-02 EP disclosed
US-20060276523-A1 Nitoroxy derivatives of losartan, valsatan, candesartan, telmisartan, eprosartan and olmesartan as angiotensin-II receptor blockers for the treatment of cardiovascular diseases NICOX S.A. (FR) 2006-12-07 US disclosed
CN-1832742-A Nitrooxy derivatives of losartan, valsartan, candesartan, telmisartan, eprosartan and olmesartan as angiotensin II receptor blockers for the treatment of cardiovascular diseases NICOX SA (FR) 2006-09-13 CN disclosed
WO-2006079610-A1 NITROOXY SARTAN DERIVATIVES AS ANGIOTENSIN II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES NICOX S.A. (FR) 2006-08-03 WO disclosed
EP-1653950-A2 NITROOXY DERIVATIVES OF LOSARTAN, VALSATAN, CANDESARTAN, TELMISARTAN, EPROSARTAN AND OLMESARTAN AS ANGIOTENSIN-II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Nicox S.A. (FR) 2006-05-10 EP disclosed
WO-2006008196-A1 PROCESS FOR PREPARING NITROOXY ESTERS, NITROOXY THIOESTERS, NITROOXY CARBONATES AND NITROOXY THIOCARBONATES, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NICOX S.A. (FR) 2006-01-26 WO disclosed
WO-2005011646-A2 NITROOXY DERIVATIVES OF LOSARTAN, VALSATAN, CANDESARTAN, TELMISARTAN, EPROSARTAN AND OLMESARTAN AS ANGIOTENSIN-II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX S.A. (FR) 2005-02-10 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-20070238882-A1 Process for Preparing Nitrooxy Esters, Nitrooxy Thioesters Nitrooxy Carbonates and Nitrooxy Thiocarbinates, Intermediates Useful in Said Process and Preparation Thereof OTUB1, TET1, TET3 KMT2A 2729/4885MEN1 3860/4885TSHR 2795/4885
US-20060276523-A1 Nitoroxy derivatives of losartan, valsatan, candesartan, telmisartan, eprosartan and olmesartan as angiotensin-II receptor blockers for the treatment of cardiovascular diseases AGTR2, AGTR1, REN KMT2A 3358/4885MEN1 4208/4885TSHR 487/4885

“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.