SCHEMBL648759

SCHEMBL648759

Cc1c(C(=O)NC2CCN(Cc3ccccn3)CC2)oc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.45
SLC5A7 Q9GZV3 1/20 0.45
DRD4 P21917 1/20 0.44
NPC1 O15118 3/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SRPK1 Q96SB4 3/20 0.43
MCHR1 Q99705 1/20 0.43
POLB P06746 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42

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
SCHEMBL650235 0.89 MAOB (0.49) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL647092 0.87 SLC6A5 (0.55) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL650234 0.86 MCHR1 (0.49) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL648340 0.86 DRD4 (0.50) RAB9ALMNAALDH1A1PKMSLC5A7
SCHEMBL648519 0.85 KDM4E (0.44) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL10112907 0.85 KDM4E (0.44) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL646829 0.84 MAOA (0.59) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3669179 0.84 MAOA (0.41) RAB9ALMNAALDH1A1KDM4EMEN1
SCHEMBL647315 0.84 MAOA (0.50) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL650725 0.83 MAOA (0.44) RAB9ALMNAALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231600-B1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP claimed
US-8796254-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US claimed
US-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US claimed
EP-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP claimed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US claimed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO claimed
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-9174964-B2 AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same RIGEL PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
US-9174964-B2 AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same RIGEL PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
EP-2231600-B1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US 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-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US 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 (3 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 RAB9A 4168/4885LMNA 1973/4885ALDH1A1 804/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS RAB9A 4320/4885LMNA 813/4885ALDH1A1 397/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 RAB9A 2642/4885LMNA 2617/4885ALDH1A1 1116/4885

“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.