SCHEMBL650804

SCHEMBL650804

NC(=O)c1oc2ccccc2c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TEAD1 P28347 1/20 0.53
YAP1 P46937 1/20 0.53
TEAD4 Q15561 1/20 0.53
TEAD2 Q15562 1/20 0.53
TP53 P04637 3/20 0.49
TSHR P16473 3/20 0.49
MAPK10 P53779 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 2/20 0.49
AHR P35869 2/20 0.49
KDM4E B2RXH2 5/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL30224972 0.87 CYP3A4 (0.54) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL647309 0.82 KMT2A (0.51) ALDH1A1TP53TSHRHSD17B10MAPT
SCHEMBL29502948 0.82 KMT2A (0.51) ALDH1A1TP53TSHRHSD17B10MAPT
SCHEMBL15155615 0.81 ALDH1A1 (0.54) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL1006030 0.81 MAPT (0.67) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL1490754 0.81 KDM4E (0.49) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL11393520 0.81 CA12 (0.62) ALDH1A1TP53TSHRHSD17B10MAPT
SCHEMBL15380938 0.79 ALDH1A1 (0.53) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL6382634 0.79 ALDH1A1 (0.53) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL353910 0.79 KCNH2 (0.58) ALDH1A1TEAD1YAP1TEAD4TEAD2

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 10 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
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-4420476-A Benzofuro[3,2-c]pyrazol-3-amine derivatives Averst McKenna & Harrison, Inc. (CA) 1983-12-13 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 ALDH1A1 1121/4885TEAD1 2575/4885YAP1 1285/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 ALDH1A1 1121/4885TEAD1 2575/4885YAP1 1285/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 ALDH1A1 1116/4885TEAD1 3214/4885YAP1 2179/4885

“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.