SCHEMBL647309

SCHEMBL647309

O=C(O)c1oc2ccccc2c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 3/20 0.51
TP53 P04637 3/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ABCB1 P08183 1/20 0.51
CALM1 P0DP23 1/20 0.51
AR P10275 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP1B1 Q16678 1/20 0.51
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
MCL1 Q07820 2/20 0.49

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
SCHEMBL29502948 1.00 KMT2A (0.51) KMT2AKDM4EMEN1TP53CA12
SCHEMBL752884 0.87 KDM4E (0.65) KMT2AKDM4EMEN1TP53CA12
SCHEMBL4604605 0.83 MAPT (0.68) KMT2AKDM4EMEN1TP53MAPT
SCHEMBL11393520 0.82 CA12 (0.62) KMT2AKDM4EMEN1TP53CA12
SCHEMBL1490754 0.82 KDM4E (0.49) KMT2AKDM4EMEN1TP53CA12
SCHEMBL650804 0.82 ALDH1A1 (0.54) KMT2AKDM4EMEN1TP53CA12
SCHEMBL1520307 0.80 KMT2A (0.50) KMT2AKDM4EMEN1TP53LMNA
SCHEMBL10374396 0.79 PLA2G2A (0.47) KMT2AKDM4EMEN1TP53CA12
SCHEMBL442779 0.78 MCL1 (0.60) KMT2AKDM4ETP53LMNAMAPK1
SCHEMBL3879779 0.78 KMT2A (0.52) KMT2AKDM4EMEN1TP53MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-20 US disclosed
US-8569340-B2 AMPK-activating piperidinyloxypyiridine carboxamide and sulfonamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-10 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
CN-101910131-A Carboxamide, sulfonamide and amine compounds for metabolic disorders RIGEL PHARMACEUTICALS INC 2010-12-08 CN disclosed
EP-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO disclosed
US-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
EP-0263446-B1 Prints and production method thereof DAINICHISEIKA COLOR CHEM (JP) 1995-03-22 EP disclosed
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed
US-4869532-A BLACK INKS, AZO DYES DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1989-09-26 US disclosed
EP-0263446-A2 Prints and production method thereof DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 1988-04-13 EP disclosed
US-4221709-A Azo pigments DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1980-09-09 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-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 KMT2A 449/4885KDM4E 714/4885MEN1 4015/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 KMT2A 449/4885KDM4E 714/4885MEN1 4015/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 KMT2A 160/4885KDM4E 403/4885MEN1 2928/4885

“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.