SCHEMBL660973

SCHEMBL660973

O=Cc1cc(Br)ncc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ERN1 O75460 6/20 0.37
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
DAO P14920 1/20 0.31
ORAI1 Q96D31 1/20 0.31
PRKDC P78527 1/20 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
SCHEMBL31723867 1.00 TDP1 (0.38) TDP1ERN1TRIM24TRIM33LMNA
SCHEMBL16333251 0.83 TDP1 (0.42) TDP1ERN1TRIM24TRIM33LMNA
SCHEMBL19794988 0.78 LMNA (0.41) ERN1TRIM24TRIM33LMNAALDH1A1
SCHEMBL29411231 0.78 LMNA (0.41) ERN1TRIM24TRIM33LMNAALDH1A1
SCHEMBL1533918 0.78 TDP1 (0.40) TDP1ERN1ALDH1A1CYP1A2CYP3A4
SCHEMBL30589401 0.78 TDP1 (0.40) TDP1ERN1ALDH1A1CYP1A2CYP3A4
SCHEMBL2213250 0.75 ERN1 (0.35) ERN1TRIM24TRIM33LMNAPRKDC
SCHEMBL15012943 0.75 TDP1 (0.38) TDP1ERN1ALDH1A1CYP1A2CYP3A4
SCHEMBL22466186 0.75 ERN1 (0.48) ERN1TRIM24TRIM33
SCHEMBL29964486 0.75 ERN1 (0.35) ERN1TRIM24TRIM33LMNAPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
EP-2531487-B1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2014-06-18 EP disclosed
EP-2531487-A1 ARYL BENZYLAMINE COMPOUNDS Novartis AG (CH) 2012-12-12 EP disclosed
CN-102741227-A Aryl benzylamine compounds NOVARTIS AG 2012-10-17 CN disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
WO-2011095452-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-11 WO disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
CN-101395135-A Novel primary amides ACTELION PHARMACEUTICALS LTD (CH) 2009-03-25 CN disclosed
US-20090062342-A1 AMINES ACTELION PHARMACEUTICALS LTD. (CH) 2009-03-05 US disclosed
EP-2029542-A2 PRIMARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2009-03-04 EP disclosed
EP-1994026-A2 NEW AMINES Actelion Pharmaceuticals Ltd. (CH) 2008-11-26 EP disclosed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007102127-A2 NEW AMINES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-13 WO disclosed
WO-2007099509-A2 PRIMARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-07 WO disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (4 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 TDP1 3552/4885ERN1 1487/4885TRIM24 3856/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT TDP1 3674/4885ERN1 1463/4885TRIM24 3917/4885
US-20090062342-A1 AMINES REN, ACE, MAOA TDP1 2258/4885ERN1 2636/4885TRIM24 4445/4885
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS UGT2B7, NAT1, CYP2B6 TDP1 3896/4885ERN1 3295/4885TRIM24 3936/4885

“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.