SCHEMBL2939401

SCHEMBL2939401

O=c1oc2ccccc2c(Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 3/20 0.61
ESR1 P03372 3/20 0.60
ESR2 Q92731 1/20 0.60
CYP19A1 P11511 2/20 0.56
VKORC1 Q9BQB6 5/20 0.49
GPR55 Q9Y2T6 1/20 0.48
MEN1 O00255 1/20 0.47
ABCB11 O95342 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4D Q08499 1/20 0.47
PCSK7 Q16549 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
SCHEMBL8934551 0.87 VKORC1 (0.66) NQO1ESR1ESR2CYP19A1VKORC1
SCHEMBL5139700 0.83 ESR1 (0.84) ESR1ESR2CYP19A1PTPN1
SCHEMBL29246525 0.79 NQO1 (0.63) NQO1ESR1ESR2CYP19A1VKORC1
SCHEMBL5108033 0.79 ESR1 (0.57) NQO1ESR1ESR2CYP19A1VKORC1
SCHEMBL1800595 0.78 CA1 (0.56) NQO1ESR1ESR2CYP19A1MEN1
SCHEMBL8934606 0.76 CYP19A1 (0.80) NQO1ESR1ESR2CYP19A1VKORC1
SCHEMBL12204222 0.76 KDM4E (0.70) NQO1VKORC1MEN1ALDH1A1LMNA
SCHEMBL1648186 0.76 NQO1 (1.00) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL13346053 0.76 ESR1 (0.79) NQO1ESR1ESR2CYP19A1ALDH1A1
SCHEMBL12729873 0.76 ESR1 (1.00) ESR1ESR2CYP19A1PTPN1

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
EP-3257842-B1 THERAPEUTIC USE OF 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES WITH HIGH PURITY DEGREE NEWRON PHARM SPA (IT) 2020-11-18 EP disclosed
CN-104523668-B High-purity 2- [4- (3-or 2-fluorobenzyloxy) benzylamino ] propanamides and use thereof 纽朗制药有限公司 2020-06-09 CN disclosed
EP-3257842-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES WITH HIGH PURITY DEGREE Newron Pharmaceuticals S.p.A. (IT) 2017-12-20 EP disclosed
EP-2229351-B1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES WITH HIGH PURITY DEGREE NEWRON PHARM SPA (IT) 2017-11-08 EP disclosed
EP-2474521-B1 High purity degree 2-[4-(3- and 2-fluorobenzyloxy)benzylamino]propanamides for use as medicaments and pharmaceutical formulations containing them NEWRON PHARM SPA (IT) 2016-08-10 EP disclosed
CN-103284984-B The method producing 2-[4-(3-and 2-fluorine benzyloxy) benzyl amino] Propionamides 纽朗制药有限公司 2016-08-03 CN disclosed
CN-104523668-A High purity 2-[4-(3- or 2-fluorobenzyloxy)benzylamino]propanamides and methods of use thereof NEWRON PHARM SPA 2015-04-22 CN disclosed
EP-2029524-B1 PROCESS FOR THE PRODUCTION OF 2- [4 - ( 3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPAN AMIDES NEWRON PHARM SPA (IT) 2014-11-26 EP disclosed
US-8846763-B2 High purity 2-[4-(3- or 2-fluorobenzyloxy)benzylamino] propanamides and methods of use thereof NEWRON PHARMACEUTICALS, S.P.A. (IT) 2014-09-30 US disclosed
US-20140051758-A1 HIGH PURITY 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO] PROPANAMIDES AND METHODS OF USE THEREOF NEWRON PHARMACEUTICALS S.P.A. (IT) 2014-02-20 US disclosed
EP-2474521-A1 High purity degree 2-[4-(3- and 2-fluorobenzyloxy)benzylamino]propanamides for use as medicaments and pharmaceutical formulations containing them Newron Pharmaceuticals S.p.A. (IT) 2012-07-11 EP disclosed
US-20120157712-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPANAMIDES NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-06-21 US disclosed
US-8076515-B2 Process for the production of 2-[4-(3- and 2-fluorobenzyloxy) benzylamino] propanamides NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-12-13 US disclosed
US-20100324141-A1 HIGH PURITY 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES AND METHODS OF USE THEREOF NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-12-23 US disclosed
EP-2229351-A1 PROCESS FOR THE PRODUCTION OF 2-Ý4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO¨PROPANAMIDES WITH HIGH PURITY DEGREE Newron Pharmaceuticals S.p.A. (IT) 2010-09-22 EP disclosed
WO-2009074478-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES WITH HIGH PURITY DEGREE NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-06-18 WO disclosed
US-20090156678-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPANAMIDES NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-06-18 US disclosed
EP-2029524-A1 PROCESS FOR THE PRODUCTION OF 2- [4 - ( 3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPAN AMIDES Newron Pharmaceuticals S.p.A. (IT) 2009-03-04 EP disclosed
WO-2007147491-A1 PROCESS FOR THE PRODUCTION OF 2- [4 - ( 3- AND 2-FLU0R0BENZYL0XY) BENZYLAMIN0] PROPAN AMIDES NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-12-27 WO disclosed
EP-1355906-B1 2H-1-BENZOPYRAN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF CHIESI FARMA SPA (IT) 2005-01-12 EP 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-20090156678-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPANAMIDES PTMA, PSMB2, PDGFRA NQO1 2650/4885ESR1 4779/4885ESR2 3837/4885
US-20140051758-A1 HIGH PURITY 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO] PROPANAMIDES AND METHODS OF USE THEREOF KCNH3, KCNB2, KCNH2 NQO1 3181/4885ESR1 4804/4885ESR2 4485/4885
US-20100324141-A1 HIGH PURITY 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES AND METHODS OF USE THEREOF PDE7A, PDE8B, PDE9A NQO1 2179/4885ESR1 4862/4885ESR2 4306/4885
US-20120157712-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPANAMIDES PTMA, PSMB2, PDGFRA NQO1 2650/4885ESR1 4779/4885ESR2 3837/4885

“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.