SCHEMBL2391658

SCHEMBL2391658

O=C(NCCCN1CCOCC1)c1ccc(OC2CCN(Cc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
HRH3 Q9Y5N1 1/20 0.61
ALDH1A1 P00352 4/20 0.59
HTR1A P08908 1/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
KCNH2 Q12809 1/20 0.59
CD274 Q9NZQ7 1/20 0.59
MAPT P10636 1/20 0.57
HTR3A P46098 1/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
OPRM1 P35372 2/20 0.53
OPRD1 P41143 2/20 0.53
LMNA P02545 1/20 0.53
EPHX2 P34913 1/20 0.52

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
SCHEMBL2391068 0.92 HRH3 (0.60) KMT2AMEN1HRH3ALDH1A1KDM4E
SCHEMBL12045777 0.85 CYP2D6 (0.68) KMT2AMEN1ALDH1A1HTR3ATSHR
SCHEMBL2392556 0.83 CYP2D6 (0.59) KMT2AMEN1ALDH1A1MAPTKDM4E
Eprobemide SCHEMBL570896 0.83 ALDH1A1 (0.85) KMT2AMEN1ALDH1A1HTR1AMAOA
Eprobemide SCHEMBL10495496 0.82 ALDH1A1 (0.82) KMT2AMEN1ALDH1A1HTR1AMAOA
SCHEMBL15171717 0.81 CYP2D6 (0.56) KMT2AMEN1HTR3ASMN1; SMN2LMNA
SCHEMBL12437516 0.81 HRH3 (0.60) KMT2AMEN1HRH3ALDH1A1CD274
SCHEMBL12437577 0.78 OPRM1 (0.63) KMT2AMEN1HRH3ALDH1A1NPC1
SCHEMBL2249600 0.77 TSHR (0.74) KMT2AMEN1ALDH1A1HTR1AMAOA
SCHEMBL12099910 0.77 HRH3 (0.63) KMT2AMEN1HRH3MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079694-B1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
EP-2079694-B1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9409884-B2 5- or 6-substituted benzofuran-2-carboxamide compounds and methods for using them RIGEL PHARMACEUTICALS, INC. (US) 2016-08-09 US disclosed
US-9181220-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-9181220-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds MIDCAP FINANCIAL TRUST 2014-10-30 US disclosed
WO-2011123681-A1 METHODS FOR USING CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 WO disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-8012955-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
US-8012955-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
US-8012955-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
WO-2008083124-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 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 (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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 KMT2A 634/4885MEN1 4748/4885HRH3 2514/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 KMT2A 634/4885MEN1 4748/4885HRH3 2514/4885
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use PRKAG2, PRKAB2, PRKAG1 KMT2A 740/4885MEN1 3006/4885HRH3 3256/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS KMT2A 1646/4885MEN1 3859/4885HRH3 2910/4885

“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.