SCHEMBL3064992

SCHEMBL3064992

Fc1ccc(OCCCBr)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSPB1 P04792 1/20 0.38
GRM2 Q14416 1/20 0.38
PKM P14618 1/20 0.38
DHFR P00374 1/20 0.37
DCPS Q96C86 1/20 0.37
KDM1A O60341 2/20 0.36
TRPA1 O75762 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1282764 0.94 L3MBTL1 (0.43) L3MBTL1TDP1ALDH1A1MEN1POLB
SCHEMBL9214658 0.93 L3MBTL1 (0.42) L3MBTL1TDP1ALDH1A1MEN1POLB
SCHEMBL2428361 0.90 ALDH1A1 (0.41) L3MBTL1TDP1ALDH1A1MEN1POLB
SCHEMBL21388207 0.86 L3MBTL1 (0.48) L3MBTL1TDP1ALDH1A1MEN1POLB
SCHEMBL2334901 0.85 L3MBTL1 (0.41) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL7119985 0.83 PKM (0.56) L3MBTL1TDP1ALDH1A1MEN1HPGD
SCHEMBL7528742 0.82 HTR1B (0.46) L3MBTL1TDP1ALDH1A1MEN1POLB
SCHEMBL7231237 0.82 L3MBTL1 (0.42) L3MBTL1TDP1ALDH1A1MEN1POLB
SCHEMBL31702467 0.82 L3MBTL1 (0.42) L3MBTL1TDP1ALDH1A1MEN1POLB
SCHEMBL20684324 0.81 MRGPRX4 (0.43) L3MBTL1TDP1ALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
EP-0680472-A1 4,5-DIPHENYLIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ACYL COENZYME A: CHOLESTEROL-0-ACYL-TRANSFERASE (ACAT) INHIBITOR PHARMACIA & UPJOHN S.p.A. (IT) 1995-11-08 EP disclosed
WO-1995014673-A1 4,5-DIPHENYLIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ACYL COENZYME A: CHOLESTEROL-0-ACYL-TRANSFERASE (ACAT) INHIBITOR PHARMACIA S.P.A. (IT) 1995-06-01 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-20090012055-A1 Organic compounds REN, ACE, ACE2 L3MBTL1 4797/4885TDP1 3607/4885ALDH1A1 142/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 L3MBTL1 4797/4885TDP1 3607/4885ALDH1A1 142/4885

“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.