SCHEMBL2389709

SCHEMBL2389709

O=C(c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1)N1CCN(Cc2ccccn2)CC1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.80
KMT2A Q03164 4/20 0.66
MAPK1 P28482 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
RAB9A P51151 1/20 0.63
NPC1 O15118 2/20 0.62
PKM P14618 2/20 0.61
LMNA P02545 2/20 0.61
SLC5A7 Q9GZV3 1/20 0.61
ADRB2 P07550 3/20 0.58
MEN1 O00255 1/20 0.58

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
SCHEMBL2388830 0.83 ADRB2 (0.64) ALDH1A1KMT2AMAPK1PKMLMNA
SCHEMBL2390688 0.79 KMT2A (0.62) ALDH1A1KMT2AMAPK1PKMLMNA
SCHEMBL4237889 0.78 OPRK1 (0.65) KMT2ALMNAADRB2MEN1
SCHEMBL18560968 0.78 KMT2A (0.62) ALDH1A1KMT2AMAPK1PKMLMNA
SCHEMBL3581704 0.77 KDM4E (0.61) ALDH1A1KMT2AMAPK1KDM4ETSHR
SCHEMBL3590118 0.77 ADRB2 (0.62) KMT2AMAPK1KDM4EPKMLMNA
SCHEMBL3585068 0.77 HRH3 (0.76) KMT2AKDM4ELMNAADRB2MEN1
SCHEMBL17888394 0.76 ALDH1A1 (0.77) ALDH1A1KMT2AMAPK1KDM4EMAPT
SCHEMBL95589 0.76 ALDH1A1 (0.77) ALDH1A1KMT2AMAPK1KDM4EMAPT
SCHEMBL3022521 0.76 OPRK1 (0.76) KMT2ALMNAADRB2MEN1

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 36 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-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-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-9181220-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 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 (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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 ALDH1A1 804/4885KMT2A 634/4885MAPK1 2272/4885
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use PRKAG2, PRKAB2, PRKAG1 ALDH1A1 1008/4885KMT2A 740/4885MAPK1 938/4885

“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.